SCHEMBL6607035

SCHEMBL6607035

CCc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](NC(=CC(=O)c2ccccc2)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.55
PPARA Q07869 3/20 0.55
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 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
SCHEMBL6606538 1.00 PPARG (0.55) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL27568045 1.00 PPARG (0.55) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL6607023 1.00 PPARG (0.55) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL6603112 0.97 PPARG (0.52) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL6603125 0.97 PPARG (0.52) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL6603119 0.97 PPARG (0.52) PPARGPPARAITGB3ITGB1ITGAV
SCHEMBL6603789 0.93 PPARG (0.54) PPARGPPARA
SCHEMBL6603784 0.93 PPARG (0.54) PPARGPPARA
SCHEMBL6603773 0.93 PPARG (0.54) PPARGPPARA
SCHEMBL6604010 0.90 PPARG (0.66) PPARGPPARA

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-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP claimed
US-6498174-B1 AGONISTS TO PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; MODULATING BLOOD GLUCOSE AND LIPID LEVELS; REDUCING DYSLIPIDEMIA AND HYPERINSULINEMIA ASSOCIATED WITH IMPAIRED GLUCOSE TOLERANCE OR METABOLIC SYNDROME SMITHKLINE BEECHAM CORPORATION 2002-12-24 US claimed
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
US-6498174-B1 AGONISTS TO PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; MODULATING BLOOD GLUCOSE AND LIPID LEVELS; REDUCING DYSLIPIDEMIA AND HYPERINSULINEMIA ASSOCIATED WITH IMPAIRED GLUCOSE TOLERANCE OR METABOLIC SYNDROME SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed