SCHEMBL6503712

SCHEMBL6503712

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

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.50
PPARD Q03181 16/20 0.50
PPARG P37231 12/20 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
SCHEMBL6494274 0.95 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6505285 0.94 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6060870 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060873 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6507629 0.91 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL5552691 0.90 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6506584 0.89 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL6496320 0.88 PDE4A (0.42) PPARAPPARDPPARG
SCHEMBL5554871 0.88 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL6504042 0.88 PPARA (0.56) 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