SCHEMBL6987635

SCHEMBL6987635

COc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3CSc3ccc(OCCC(=O)O)c(C)c3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.52
PPARA Q07869 6/20 0.52
PPARG P37231 2/20 0.52
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 5/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4811568 0.89 PPARD (0.51) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL4808696 0.87 PPARD (0.46) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL6987097 0.86 PPARD (0.57) PPARDPPARAPPARGHSD17B10MEN1
SCHEMBL4801192 0.83 PPARD (0.63) PPARDPPARAPPARGHSD17B10MEN1
SCHEMBL5410116 0.80 PPARD (0.48) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL6991915 0.80 PPARD (0.51) PPARDPPARAPPARGHSD17B10MEN1
SCHEMBL4810080 0.80 PPARD (0.53) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL4808333 0.80 PPARD (0.61) PPARDPPARAPPARGHSD17B10MEN1
SCHEMBL4808025 0.79 PPARD (0.65) PPARDPPARAPPARGHSD17B10MEN1
SCHEMBL4808817 0.79 PPARD (0.56) 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-1349843-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2003-10-08 EP disclosed
WO-2002059098-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO disclosed