SCHEMBL6504042

SCHEMBL6504042

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.56
PPARD Q03181 12/20 0.56
PPARG P37231 12/20 0.56
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL6060870 0.89 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060873 0.89 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6494274 0.88 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL5554901 0.88 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6503712 0.88 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL6496322 0.87 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL5554904 0.86 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6504240 0.84 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6507629 0.84 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL6506584 0.82 PPARA (0.46) 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