SCHEMBL6605250

SCHEMBL6605250

CC/C(=C/C(=O)c1ccc(C(F)(F)F)cc1)N[C@@H](Cc1ccc(OCc2nc(-c3ccccc3)sc2CC)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.52
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
PPARA Q07869 6/20 0.45
PPARD Q03181 4/20 0.45
GPR34 Q9UPC5 1/20 0.43
FFAR1 O14842 1/20 0.42
GPR132 Q9UNW8 1/20 0.41

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
SCHEMBL6605264 1.00 PPARG (0.52) PPARGMMEACECPA1ACE2
SCHEMBL6605257 1.00 PPARG (0.52) PPARGMMEACECPA1ACE2
SCHEMBL6605265 0.93 PPARG (0.55) PPARGMMEACECPA1ACE2
SCHEMBL6605251 0.93 PPARG (0.55) PPARGMMEACECPA1ACE2
SCHEMBL6605259 0.93 PPARG (0.55) PPARGMMEACECPA1ACE2
SCHEMBL6605831 0.92 PPARG (0.63) PPARGMMEACECPA1ACE2
SCHEMBL6605839 0.92 PPARG (0.63) PPARGMMEACECPA1ACE2
SCHEMBL6605817 0.92 PPARG (0.63) PPARGMMEACECPA1ACE2
SCHEMBL27570583 0.92 PPARG (0.63) PPARGMMEACECPA1ACE2
SCHEMBL6606265 0.89 PPARG (0.50) PPARGMMEACECPA1ACE2

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