SCHEMBL6607658

SCHEMBL6607658

CCc1sc(-c2ccccc2)nc1COc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
FFAR1 O14842 3/20 0.48
PPARD Q03181 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.44
XIAP P98170 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SLC7A5 Q01650 2/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
TPH1 P17752 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL6602726 0.91 PPARG (0.51) PPARGPPARAFFAR1PPARDL3MBTL1
SCHEMBL6603506 0.83 FFAR1 (0.48) PPARGPPARAFFAR1PPARDITGB3
SCHEMBL6602930 0.80 PPARG (0.64) PPARGPPARAPPARDITGB3ITGA2B
SCHEMBL6603598 0.79 PPARG (0.58) PPARGPPARAFFAR1PPARD
SCHEMBL6603789 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL6603773 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL6603784 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL6603377 0.76 FFAR1 (0.72) PPARGPPARAFFAR1PPARD
SCHEMBL515522 0.74 SLC7A5 (0.69) PPARGPPARAFFAR1PPARDXIAP
SCHEMBL288912 0.74 SLC7A5 (0.69) PPARGPPARAFFAR1PPARDXIAP

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