SCHEMBL6505578

SCHEMBL6505578

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2ccccc2Cl)sc1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 6/20 0.41
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL6503008 0.94 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6496502 0.92 PPARA (0.39) PPARGPPARAPPARD
SCHEMBL6496051 0.92 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL6502624 0.91 PPARG (0.46) PPARGPPARAPPARDOPRK1OPRM1
SCHEMBL6495540 0.88 THRB (0.43) PPARGPPARAPPARD
SCHEMBL6506146 0.88 EPHX2 (0.37) PPARGPPARAPPARDEPHX2
SCHEMBL6504631 0.87 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL6503260 0.85 PPARG (0.47) PPARGPPARAPPARDOPRK1OPRM1
SCHEMBL6507594 0.84 ADORA2A (0.38) PPARGPPARAPPARD
SCHEMBL6497310 0.84 PPARG (0.54) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed