SCHEMBL6497873

SCHEMBL6497873

COc1ccc(CC(OCC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.50
PPARD Q03181 14/20 0.50
PPARG P37231 14/20 0.50

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
SCHEMBL6494086 0.92 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL6498702 0.90 PPARG (0.52) PPARAPPARDPPARG
SCHEMBL7684941 0.84 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6498088 0.84 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL6498320 0.83 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL6504835 0.83 PPARG (0.43) PPARAPPARDPPARG
SCHEMBL6497351 0.82 POLB (0.43) PPARAPPARDPPARG
SCHEMBL6502624 0.82 PPARG (0.46) PPARAPPARDPPARG
SCHEMBL5549055 0.81 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6528332 0.81 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