SCHEMBL6602726

SCHEMBL6602726

CCc1sc(-c2ccccc2)nc1CCOc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.51
PPARA Q07869 12/20 0.51
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARD Q03181 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45

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
SCHEMBL6603506 0.92 FFAR1 (0.48) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL6607658 0.91 PPARG (0.48) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL6602930 0.88 PPARG (0.64) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL7681594 0.80 PPARG (0.57) PPARGPPARAITGB3ITGA2BPPARD
SCHEMBL6603216 0.79 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL6607035 0.78 PPARG (0.55) PPARGPPARAITGB3
SCHEMBL6607023 0.78 PPARG (0.55) PPARGPPARAITGB3
SCHEMBL6606538 0.78 PPARG (0.55) PPARGPPARAITGB3
SCHEMBL5173961 0.76 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL6603469 0.76 PPARG (0.60) PPARGPPARAPPARD

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 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