SCHEMBL6496012

SCHEMBL6496012

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.57
PPARD Q03181 14/20 0.57
PPARG P37231 11/20 0.57

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
SCHEMBL6496351 0.93 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6504240 0.92 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6060870 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060873 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6504500 0.90 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6497125 0.90 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL5553514 0.89 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL5554894 0.89 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL6495864 0.88 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6060693 0.88 PPARA (0.75) 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