SCHEMBL6504835

SCHEMBL6504835

Cc1sc(-c2ccccc2)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.43
PPARA Q07869 12/20 0.43
PPARD Q03181 9/20 0.43
PARP1 P09874 1/20 0.38

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
SCHEMBL7676301 0.94 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6502624 0.92 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6496502 0.90 PPARA (0.39) PPARGPPARAPPARD
SCHEMBL6497310 0.90 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6502884 0.89 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6498650 0.88 EPHX2 (0.40) PPARGPPARAPPARD
SCHEMBL6498320 0.86 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL7684246 0.86 SHMT1 (0.39) PPARGPPARAPPARD
SCHEMBL5549055 0.86 PPARA (0.43) PPARGPPARAPPARDPARP1
SCHEMBL5552676 0.86 PPARA (0.42) PPARGPPARAPPARDPARP1

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