SCHEMBL6186481

SCHEMBL6186481

COc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(F)cc3)CC2)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.52
PPARA Q07869 18/20 0.52
PPARG P37231 8/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4808382 0.92 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL4809754 0.88 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4810230 0.87 PPARD (0.51) PPARDPPARAPPARGMAPT
SCHEMBL4808451 0.87 PPARA (0.59) PPARDPPARAPPARG
SCHEMBL4803137 0.86 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4808273 0.85 PPARD (0.51) PPARDPPARAPPARGALDH1A1CYP3A4
SCHEMBL4808817 0.85 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL4802290 0.84 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL4812093 0.84 PPARA (0.49) PPARDPPARAPPARG
SCHEMBL4810762 0.83 PPARA (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349843-B1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-04-20 EP claimed