SCHEMBL288893

SCHEMBL288893

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CYP1A2 P05177 3/20 0.63
HRH1 P35367 1/20 0.63
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
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 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
SLC22A16 Q86VW1 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
SCHEMBL29541081 1.00 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10950131 1.00 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL994842 0.90 MEN1 (0.57) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL11154395 0.90 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5935776 0.89 MEN1 (0.58) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5935771 0.89 MEN1 (0.58) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3446901 0.86 MEN1 (0.61) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL30274683 0.86 MEN1 (0.61) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL609998 0.86 MEN1 (0.61) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL506775 0.86 MEN1 (0.61) 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 69 patents — showing the first 20. 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
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US 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
US-20140308687-A1 Method and Use of Metabolites for the Diagnosis and Differentiation of Neonatal Encephalopathy INFANDX AG (DE) 2014-10-16 US claimed
US-20140297195-A1 Method and Use of Metabolites for the Diagnosis of Inflammatory Brain Injury in Preterm Born Infants INFANDX AG (DE) 2014-10-02 US claimed
EP-2771696-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY InfanDx AG (DE) 2014-09-03 EP claimed
WO-2013060788-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2013-05-02 WO claimed
EP-2587264-A1 Method and use of metabolites for the diagnosis and differentiation of neonatal encephalopathy InfanDx AG (DE) 2013-05-01 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
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 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
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