SCHEMBL6603467

SCHEMBL6603467

CCC(=CC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H](Cc1ccc(OCc2nc(-c3ccccc3)oc2CC)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.53
PPARG P37231 16/20 0.53
PPARD Q03181 4/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
GPR34 Q9UPC5 1/20 0.43

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
SCHEMBL6603464 1.00 PPARA (0.53) PPARAPPARGPPARDMMEACE
SCHEMBL6603454 1.00 PPARA (0.53) PPARAPPARGPPARDMMEACE
SCHEMBL6603390 0.95 PPARA (0.50) PPARAPPARGPPARDMMEACE
SCHEMBL6603379 0.95 PPARA (0.50) PPARAPPARGPPARDMMEACE
SCHEMBL6603396 0.95 PPARA (0.50) PPARAPPARGPPARDMMEACE
SCHEMBL6608581 0.93 PPARG (0.56) PPARAPPARGPPARD
SCHEMBL6608599 0.93 PPARG (0.56) PPARAPPARGPPARD
SCHEMBL6608592 0.93 PPARG (0.56) PPARAPPARGPPARD
SCHEMBL6604200 0.92 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL6602076 0.92 PPARG (0.64) PPARAPPARGPPARD

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