SCHEMBL6503260

SCHEMBL6503260

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2cccs2)sc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.47
PPARA Q07869 10/20 0.43
PPARD Q03181 9/20 0.43
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GAA P10253 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
SCHEMBL6505646 0.94 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL6502884 0.92 PPARG (0.43) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL6498808 0.92 PPARA (0.44) PPARGPPARAPPARDKDM4ERAB9A
SCHEMBL6502624 0.90 PPARG (0.46) PPARGPPARAPPARDOPRM1OPRD1
SCHEMBL6507195 0.88 PPARG (0.40) PPARGPPARAPPARDKDM4ERAB9A
SCHEMBL6504631 0.87 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL6495540 0.86 THRB (0.43) PPARGPPARAPPARD
SCHEMBL6505578 0.85 PPARG (0.41) PPARGPPARAPPARDOPRM1OPRD1
SCHEMBL6504638 0.85 PPARA (0.44) PPARGPPARAPPARDKDM4E
SCHEMBL6497310 0.83 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