SCHEMBL6603379

SCHEMBL6603379

CC/C(=C/C(=O)c1ccc(C(F)(F)F)cc1)N[C@@H](Cc1ccc(OCc2nc(-c3ccc(F)cc3)oc2CC)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.50
PPARG P37231 17/20 0.49
PPARD Q03181 4/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL6603390 1.00 PPARA (0.50) PPARAPPARGPPARDMMEACE
SCHEMBL6603396 1.00 PPARA (0.50) PPARAPPARGPPARDMMEACE
SCHEMBL6608088 0.95 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6608094 0.95 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6608074 0.95 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6603467 0.95 PPARA (0.53) PPARAPPARGPPARDMMEACE
SCHEMBL6603454 0.95 PPARA (0.53) PPARAPPARGPPARDMMEACE
SCHEMBL6603464 0.95 PPARA (0.53) PPARAPPARGPPARDMMEACE
SCHEMBL6603557 0.93 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL6604140 0.93 PPARA (0.53) 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