SCHEMBL289057

SCHEMBL289057

CC(C)=CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
CYP1A2 P05177 1/20 0.68
HRH1 P35367 1/20 0.68
CYP2C19 P33261 2/20 0.59
RECQL P46063 1/20 0.59
SLC25A20 O43772 3/20 0.51
TP53 P04637 2/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
SLC6A5 Q9Y345 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11154395 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL29405785 0.82 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL288777 0.82 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL69781 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL118455 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL677128 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL28017793 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10950131 0.81 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL288893 0.81 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL29541081 0.81 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO claimed
EP-2678690-B1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS INFANDX AG (DE) 2018-01-24 EP claimed
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US claimed
EP-2449488-B1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2015-01-14 EP claimed
WO-2012113834-A1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS BIOCRATES LIFE SCIENCES AG (AT) 2012-08-30 WO claimed
EP-2492690-A1 Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants BIOCRATES Life Sciences AG (AT) 2012-08-29 EP claimed
US-20120208282-A1 Method For Normalization in Metabolomics Analysis Methods with Endogenous Reference Metabolites. BIOCRATES LIFE SCIENCES AG 2012-08-16 US claimed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US claimed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP claimed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP claimed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO claimed
US-20110098229-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS BIOMED RESEARCH & TECHNOLOGIES, INC. 2011-04-28 US claimed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO claimed
EP-2270699-A1 Method for normalization in metabolomics analysis methods with endogenous reference metabolites BIOCRATES Life Sciences AG (AT) 2011-01-05 EP claimed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO claimed
EP-2249161-A1 Method of diagnosing asphyxia BIOCRATES Life Sciences AG (AT) 2010-11-10 EP claimed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP claimed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US claimed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO claimed
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO disclosed
EP-2771696-B1 METHODS MAKING USE OF PANELS OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2022-09-14 EP disclosed
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed
EP-2249161-B1 Method of diagnosing asphyxia INFANDX AG (DE) 2020-05-13 EP disclosed
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US disclosed
EP-2678690-B1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS INFANDX AG (DE) 2018-01-24 EP disclosed
US-20180011111-A1 Method of Diagnosing and Treating Asphyxia INFANDX AG (DE) 2018-01-11 US disclosed
US-9791459-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2017-10-17 US disclosed
US-20170016908-A1 BIOMARKERS FOR ASSESSING KIDNEY DISEASES BIOCRATES LIFE SCIENCES AG (AT) 2017-01-19 US disclosed
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
EP-2427773-B1 METHOD OF DIAGNOSING ASPHYXIA INFANDX AG (DE) 2016-07-06 EP disclosed
EP-2917738-A1 USE OF QUALITY INDICATORS FOR CHECKING THAWING PROCESSES IN FROZEN SAMPLE TISSUES BIOCRATES Life Sciences AG (AT) 2015-09-16 EP disclosed
EP-2449488-B1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2015-01-14 EP disclosed
US-20140308687-A1 Method and Use of Metabolites for the Diagnosis and Differentiation of Neonatal Encephalopathy INFANDX AG (DE) 2014-10-16 US disclosed
EP-2771696-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY InfanDx AG (DE) 2014-09-03 EP disclosed
EP-2438441-B1 NEW BIOMARKERS FOR ASSESSING KIDNEY DISEASES BIOCRATES LIFE SCIENCES AG (AT) 2014-05-21 EP disclosed
WO-2014072537-A1 USE OF QUALITY INDICATORS FOR CHECKING THAWING PROCESSES IN FROZEN SAMPLE TISSUES BIOCRATES LIFE SCIENCES AG (AT) 2014-05-15 WO disclosed
WO-2013060788-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2013-05-02 WO disclosed
EP-2587264-A1 Method and use of metabolites for the diagnosis and differentiation of neonatal encephalopathy InfanDx AG (DE) 2013-05-01 EP disclosed
EP-2567213-A1 METHOD OF PROCESSING DRIED SAMPLES USING DIGITAL MICROFLUIDIC DEVICE The Governing Council of the Universtiy of Toronto (CA) 2013-03-13 EP disclosed
US-20120326025-A1 DIAGNOSING PROSTATE CANCER RELAPSE IMG Institut fur Medizinische Genomforschung Planu ngsgesellschaft (AT) 2012-12-27 US disclosed
EP-2529229-A1 DIAGNOSING PROSTATE CANCER RELAPSE IMG Institut für medizinische Genomforschung Planungsgesellschaft M.B.H. (AT) 2012-12-05 EP disclosed
WO-2012113834-A1 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS OF INFLAMMATORY BRAIN INJURY IN PRETERM BORN INFANTS BIOCRATES LIFE SCIENCES AG (AT) 2012-08-30 WO disclosed
EP-2492690-A1 Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants BIOCRATES Life Sciences AG (AT) 2012-08-29 EP disclosed
US-20120208282-A1 Method For Normalization in Metabolomics Analysis Methods with Endogenous Reference Metabolites. BIOCRATES LIFE SCIENCES AG 2012-08-16 US disclosed
US-20120202240-A1 Method for Predicting the likelihood of an Onset of an Inflammation Associated Organ Failure BIOCRATES LIFE SCIENCES AG 2012-08-09 US disclosed
EP-2460014-A1 METHOD FOR PREDICTING THE LIKELIHOOD OF AN ONSET OF AN INFLAMMATION ASSOCIATED ORGAN FAILURE BIOCRATES Life Sciences AG (AT) 2012-06-06 EP disclosed
US-20120136581-A1 Method of Diagnosing Asphyxia BIOCRATES LIFE SCIENCES AG (AT) 2012-05-31 US disclosed
US-20120129265-A1 NEW BIOMARKERS FOR ASSESSING KIDNEY DISEASES BIOCRATES LIFE SCIENCES AG (AT) 2012-05-24 US disclosed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 EP disclosed
EP-2427773-A1 METHOD OF DIAGNOSING ASPHYXIA Keller, Matthias (DE) 2012-03-14 EP disclosed
WO-2011137533-A1 METHOD OF PROCESSING DRIED SAMPLES USING DIGITAL MICROFLUIDIC DEVICE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2011-11-10 WO disclosed
EP-2354794-A1 Diagnosing prostate cancer relapse IMG Institut für medizinische Genomforschung Planungsgesellschaft M.B.H. (AT) 2011-08-10 EP disclosed
WO-2011092286-A1 DIAGNOSING PROSTATE CANCER RELAPSE IMG INSTITUT FÜR MEDIZINISCHE GENOMFORSCHUNG PLANUNGSGESELLSCHAFT M.B.H. (AT) 2011-08-04 WO disclosed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO disclosed
US-20110098229-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS BIOMED RESEARCH & TECHNOLOGIES, INC. 2011-04-28 US disclosed
EP-2284540-A1 Method of diagnosing organ failure BIOCRATES Life Sciences AG (AT) 2011-02-16 EP disclosed
WO-2011012553-A1 METHOD FOR PREDICTING THE LIKELIHOOD OF AN ONSET OF AN INFLAMMATION ASSOCIATED ORGAN FAILURE BIOCRATES LIFE SCIENCES AG (AT) 2011-02-03 WO disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 WO disclosed
EP-2270699-A1 Method for normalization in metabolomics analysis methods with endogenous reference metabolites BIOCRATES Life Sciences AG (AT) 2011-01-05 EP disclosed
WO-2010128054-A1 METHOD OF DIAGNOSING ASPHYXIA BIOCRATES LIFE SCIENCES AG (AT) 2010-11-11 WO disclosed
EP-2249161-A1 Method of diagnosing asphyxia BIOCRATES Life Sciences AG (AT) 2010-11-10 EP disclosed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP disclosed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US disclosed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO disclosed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO disclosed