SCHEMBL6604112

SCHEMBL6604112

CC#CC(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.55
CES1 P23141 6/20 0.55
BCHE P06276 1/20 0.35
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAP2K1 Q02750 1/20 0.31
RIPK1 Q13546 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6604138 0.83 CES2 (0.57) CES2CES1BCHEALDH1A1HPGD
SCHEMBL3247401 0.76 CES2 (0.57) CES2CES1ALDH1A1
SCHEMBL8975156 0.74 CES2 (0.54) CES2CES1BCHEALDH1A1HPGD
SCHEMBL29775631 0.73 CES2 (0.67) CES2CES1BCHEALDH1A1HPGD
SCHEMBL671906 0.73 CES2 (0.67) CES2CES1BCHEALDH1A1HPGD
SCHEMBL2373430 0.72 CES2 (0.59) CES2CES1BCHEALDH1A1HPGD
SCHEMBL6605209 0.72 POLB (0.37) CES2CES1HPGD
SCHEMBL1760850 0.72 CES2 (0.73) CES2CES1BCHEALDH1A1HPGD
SCHEMBL4444760 0.70 CES2 (0.70) CES2CES1BCHEALDH1A1HPGD
SCHEMBL241797 0.70 CES2 (0.70) CES2CES1BCHEALDH1A1MAP2K1

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