SCHEMBL6498808

SCHEMBL6498808

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2cccs2)sc1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.44
PPARD Q03181 13/20 0.44
PPARG P37231 11/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL6502884 0.94 PPARG (0.43) PPARAPPARDPPARGKDM4ENPC1
SCHEMBL6503260 0.92 PPARG (0.47) PPARAPPARDPPARGKDM4ERAB9A
SCHEMBL6504638 0.92 PPARA (0.44) PPARAPPARDPPARGKDM4E
SCHEMBL6505646 0.91 PPARG (0.55) PPARAPPARDPPARG
SCHEMBL6527212 0.90 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL6507195 0.89 PPARG (0.40) PPARAPPARDPPARGKDM4ENPC1
SCHEMBL6528332 0.86 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6502616 0.84 PPARG (0.40) PPARAPPARDPPARGKDM4ENPC1
SCHEMBL6498320 0.84 PPARA (0.45) PPARAPPARDPPARGHPGD
SCHEMBL6505065 0.84 PPARA (0.43) PPARAPPARDPPARG

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