SCHEMBL6502670

SCHEMBL6502670

CCc1cc(-c2nc(C(=O)NCc3cc(CC(OC(C)C)C(=O)O)ccc3OC)c(C)s2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.42
PPARD Q03181 17/20 0.42
PPARG P37231 14/20 0.42
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL6528332 0.86 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6498320 0.85 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL6527212 0.84 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL6502624 0.84 PPARG (0.46) PPARAPPARDPPARG
SCHEMBL6505065 0.83 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6504631 0.83 PPARG (0.44) PPARAPPARDPPARG
SCHEMBL6503794 0.82 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL6497310 0.82 PPARG (0.54) PPARAPPARDPPARG
SCHEMBL6504835 0.82 PPARG (0.43) PPARAPPARDPPARG
SCHEMBL6495540 0.82 THRB (0.43) 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