SCHEMBL5187698

SCHEMBL5187698

Cc1cc(OCCC(=O)Nc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.54
PPARA Q07869 18/20 0.54
PPARG P37231 8/20 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
SCHEMBL5188275 0.93 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5188301 0.92 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL5186528 0.89 PPARA (0.47) PPARDPPARAPPARG
SCHEMBL5187697 0.86 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5937517 0.85 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL5186646 0.85 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL5187765 0.84 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL1375255 0.84 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL5188784 0.84 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL5186525 0.82 PPARD (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP claimed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO claimed
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed