SCHEMBL6496519

SCHEMBL6496519

COc1ncc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2OC)c(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.48
PPARD Q03181 15/20 0.47
PPARG P37231 13/20 0.44

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
SCHEMBL6504445 0.86 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6507047 0.86 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6503654 0.80 ALDH1A1 (0.57) PPARAPPARDPPARG
SCHEMBL6504240 0.79 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6494291 0.79 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6060870 0.78 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060873 0.78 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6497125 0.78 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6494274 0.78 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6495864 0.77 PPARA (0.53) 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