SCHEMBL6496923

SCHEMBL6496923

CCOC(=O)C(Cc1ccc(OC)c(CNC(=O)OC(C)(C)C)c1)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.45
PPARD Q03181 17/20 0.45
PPARG P37231 14/20 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
SCHEMBL6503438 0.92 PPARG (0.44) PPARAPPARDPPARG
SCHEMBL6497644 0.92 ALDH1A1 (0.43) PPARAPPARDPPARG
SCHEMBL6495176 0.90 PPARD (0.40) PPARAPPARDPPARG
SCHEMBL6507710 0.90 PPARG (0.45) PPARAPPARDPPARG
SCHEMBL6495642 0.89 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL5549723 0.88 HDAC1 (0.39) PPARG
SCHEMBL5549041 0.87 ALDH1A1 (0.36) PPARAPPARDPPARG
SCHEMBL5552678 0.87 TRPV1 (0.38) PPARAPPARDPPARG
SCHEMBL6496499 0.86 PPARG (0.39) PPARAPPARDPPARG
SCHEMBL6498144 0.86 NPY1R (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