SCHEMBL6498475

SCHEMBL6498475

CCCOC(Cc1ccc(OC)c(CNC(=O)c2nc(-c3ccccc3Cl)sc2C)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.46
PPARD Q03181 12/20 0.46
PPARG P37231 14/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6498702 0.91 PPARG (0.52) PPARAPPARDPPARG
SCHEMBL7684941 0.87 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6503008 0.87 PPARG (0.48) PPARAPPARDPPARG
SCHEMBL6494086 0.84 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL6505578 0.83 PPARG (0.41) PPARAPPARDPPARG
SCHEMBL6496502 0.83 PPARA (0.39) PPARAPPARDPPARGALDH1A1LMNA
SCHEMBL6497873 0.81 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL6506146 0.79 EPHX2 (0.37) PPARAPPARDPPARG
SCHEMBL6527212 0.77 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL6497310 0.77 PPARG (0.54) 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