SCHEMBL6603517

SCHEMBL6603517

CCc1sc(-c2ccccc2)nc1CO

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
PTGDR2 Q9Y5Y4 5/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 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
SCHEMBL18015850 0.88 L3MBTL1 (0.55) L3MBTL1PTGDR2KDM4EPOLBTRPM8
SCHEMBL6603353 0.87 L3MBTL1 (0.52) L3MBTL1PTGDR2KDM4EPOLBTRPM8
SCHEMBL16398630 0.84 ALOX5 (0.49) L3MBTL1PTGDR2KDM4EPOLBTRPM8
SCHEMBL12875849 0.83 DCK (0.46) L3MBTL1POLBTRPM8ALDH1A1MAPT
SCHEMBL6608210 0.83 PTGDR2 (0.63) L3MBTL1PTGDR2KDM4EPOLBTRPM8
SCHEMBL18014741 0.81 L3MBTL1 (0.49) L3MBTL1PTGDR2KDM4EPOLBTRPM8
SCHEMBL4034919 0.79 RARA (0.49) L3MBTL1TRPM8ALDH1A1MAPTCDC7
SCHEMBL9628554 0.79 TRPM8 (0.62) L3MBTL1PTGDR2TRPM8MAPTCDC7
SCHEMBL1198261 0.79 MEN1 (0.54) L3MBTL1ALDH1A1MAPT
SCHEMBL18003854 0.78 DCK (0.59) L3MBTL1TRPM8MAPT

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