SCHEMBL6017252

SCHEMBL6017252

Cc1nc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1COc1ccc2c(CC(=O)O)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.47
PPARA Q07869 12/20 0.47
PPARG P37231 6/20 0.43

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
SCHEMBL6017244 0.93 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL6017227 0.91 PKM (0.41) PPARDPPARAPPARG
SCHEMBL5617387 0.87 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL5617384 0.83 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL5617389 0.82 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL6017193 0.81 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL6052637 0.81 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL5859790 0.81 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL6064615 0.80 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL6017170 0.79 PPARD (0.38) PPARDPPARAPPARG

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
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed