SCHEMBL6987097

SCHEMBL6987097

COc1ccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3CSc3ccc(OCCC(=O)O)c(C)c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.57
PPARA Q07869 13/20 0.57
PPARG P37231 4/20 0.57
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4808025 0.93 PPARD (0.65) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809754 0.89 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4801366 0.88 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4801990 0.88 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4803214 0.88 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809367 0.87 PPARD (0.68) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4807084 0.87 PPARD (0.46) PPARDPPARAPPARGMAPT
SCHEMBL4801192 0.87 PPARD (0.63) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809791 0.86 PPARD (0.69) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4808683 0.86 PPARD (0.51) 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