SCHEMBL6504503

SCHEMBL6504503

Cc1csc(-c2ccc(CC(OC(C)C)C(=O)O)cc2CNC(=O)c2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.52
PPARD Q03181 18/20 0.52
PPARG P37231 14/20 0.52

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
SCHEMBL6494005 0.89 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6505679 0.88 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6494450 0.86 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6505694 0.85 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6505922 0.83 CTSL (0.37) PPARAPPARDPPARG
SCHEMBL7684580 0.82 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6060693 0.82 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL6060697 0.82 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL7685465 0.82 EPHX2 (0.36) PPARAPPARDPPARG
SCHEMBL6498815 0.78 PPARG (0.37) 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