SCHEMBL6605831

SCHEMBL6605831

CCc1sc(-c2ccccc2)nc1COc1ccc(C[C@H](N/C(C)=C/C(=O)c2ccc(C(F)(F)F)cc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.63
PPARA Q07869 3/20 0.52
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
PPARD Q03181 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
SCHEMBL6605839 1.00 PPARG (0.63) PPARGPPARAMMEACECPA1
SCHEMBL6605817 1.00 PPARG (0.63) PPARGPPARAMMEACECPA1
SCHEMBL27570583 1.00 PPARG (0.63) PPARGPPARAMMEACECPA1
SCHEMBL6605264 0.92 PPARG (0.52) PPARGPPARAMMEACECPA1
SCHEMBL6605250 0.92 PPARG (0.52) PPARGPPARAMMEACECPA1
SCHEMBL6605257 0.92 PPARG (0.52) PPARGPPARAMMEACECPA1
SCHEMBL6603773 0.87 PPARG (0.54) PPARGPPARA
SCHEMBL6603789 0.87 PPARG (0.54) PPARGPPARA
SCHEMBL6603784 0.87 PPARG (0.54) PPARGPPARA
SCHEMBL6604402 0.86 PPARG (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 WO disclosed