SCHEMBL6497310

SCHEMBL6497310

CCCOc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.54
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL6496860 0.94 PPARG (0.49) PPARGPPARDPPARA
SCHEMBL6502624 0.94 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL6495781 0.93 PPARG (0.48) PPARGPPARDPPARA
SCHEMBL6503008 0.91 PPARG (0.48) PPARGPPARDPPARA
SCHEMBL6504835 0.90 PPARG (0.43) PPARGPPARDPPARA
SCHEMBL6505646 0.90 PPARG (0.55) PPARGPPARDPPARA
SCHEMBL6504631 0.88 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL6495540 0.86 THRB (0.43) PPARGPPARDPPARA
SCHEMBL6498702 0.85 PPARG (0.52) PPARGPPARDPPARA
SCHEMBL6498650 0.85 EPHX2 (0.40) PPARGPPARDPPARA

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