SCHEMBL9613992

SCHEMBL9613992

CSC(CCOCCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.44
PPARG P37231 9/20 0.44
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PPARD Q03181 2/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL9614003 0.82 PPARG (0.50) PPARAPPARGHSD17B10CYP2C19CYP2C9
SCHEMBL9614063 0.80 PPARA (0.47) PPARAPPARGCYP2C19CYP1A2CYP2D6
SCHEMBL10420481 0.80 PPARA (0.49) PPARAPPARGHSD17B10
SCHEMBL9613870 0.79 PPARA (0.51) PPARAPPARG
SCHEMBL9613989 0.77 PPARA (0.43) PPARAPPARGHSD17B10EDNRBEDNRA
SCHEMBL9613951 0.73 PPARA (0.67) PPARAPPARG
SCHEMBL11228865 0.73 TAAR1 (0.54)
SCHEMBL3584933 0.72 FFAR1 (0.51) PPARAPPARG
SCHEMBL9614080 0.72 PPARA (0.55) PPARAPPARGKDM4E
SCHEMBL9613841 0.71 PPARG (0.43) PPARAPPARGRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed