SCHEMBL288256

SCHEMBL288256

CC(O)C(C)C(=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 2/20 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
TSHR P16473 3/20 0.51
TP53 P04637 2/20 0.51
CYP2D6 P10635 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 0.50

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
SCHEMBL3445036 0.87 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445035 0.87 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17416718 0.87 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL234697 0.85 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2565442 0.85 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL677165 0.85 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17164649 0.84 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL8752465 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
Bromide SCHEMBL2995963 0.83 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10899938 0.82 MEN1 (0.65) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250003930-A1 METHOD FOR ANALYZING AMINO ACIDS AND/OR ACYLCARNITINES SHIMADZU CORPORATION (JP) 2025-01-02 US claimed
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US claimed
US-9421262-B2 Compositions and methods for treating dermatological conditions BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2016-08-23 US 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
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
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
EP-2249161-A1 Method of diagnosing asphyxia BIOCRATES Life Sciences AG (AT) 2010-11-10 EP claimed
US-6149924-A FOR TOPICAL APPLICATION BIOMED RESEARCH & TECHNOLOGIES, INC. (US) 2000-11-21 US claimed
US-20250003930-A1 METHOD FOR ANALYZING AMINO ACIDS AND/OR ACYLCARNITINES SHIMADZU CORPORATION (JP) 2025-01-02 US disclosed
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed
US-10514383-B2 Diagnosis and treatment of neonatal encephalopathy INFANDX AG (DE) 2019-12-24 US disclosed
US-20180011111-A1 Method of Diagnosing and Treating Asphyxia INFANDX AG (DE) 2018-01-11 US 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