SCHEMBL6608210

SCHEMBL6608210

CCc1sc(-c2ccccc2)nc1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.63
KDM4E B2RXH2 4/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52

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
SCHEMBL6604582 0.87 PTGDR2 (0.60) PTGDR2KDM4EPOLBL3MBTL1TRPM8
SCHEMBL18015850 0.84 L3MBTL1 (0.55) PTGDR2KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL4479582 0.84 PPARD (0.56) PTGDR2KDM4EALDH1A1PPARG
SCHEMBL6603517 0.83 L3MBTL1 (0.58) PTGDR2KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL3537226 0.81 PTGDR2 (0.56) PTGDR2KDM4EPOLBALDH1A1PPARG
SCHEMBL6603353 0.80 L3MBTL1 (0.52) PTGDR2KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL20397388 0.78 PTGDR2 (0.69) PTGDR2KDM4EPOLBALDH1A1PPARG
SCHEMBL6602729 0.78 L3MBTL1 (0.74) PTGDR2KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL9555418 0.78 PTGDR2 (0.60) PTGDR2KDM4EPOLBALDH1A1PPARG
SCHEMBL9555272 0.78 PTGDR2 (0.56) PTGDR2KDM4EPOLBALDH1A1PPARG

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