SCHEMBL14016282

SCHEMBL14016282

C=C(O)COc1ccc(SCCCc2sc3cc(C(F)(F)F)ccc3c2CC)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
PPARD Q03181 17/20 0.37
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL4654150 0.92 PTGDR2 (0.46) PTGDR2PPARDPPARAPPARG
SCHEMBL14017076 0.88 PPARD (0.40) PTGDR2PPARDPPARAPPARGMRGPRX4
SCHEMBL4654025 0.85 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL4654024 0.84 PPARD (0.47) PTGDR2PPARDPPARAPPARG
SCHEMBL14016243 0.82 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL14449268 0.81 PPARD (0.41) PTGDR2PPARDPPARAPPARG
SCHEMBL4654136 0.79 PPARD (0.47) PTGDR2PPARDPPARAPPARG
SCHEMBL5157725 0.77 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL4654002 0.76 PPARD (0.46) PTGDR2PPARDPPARAPPARG
SCHEMBL14017062 0.76 PPARD (0.41) PTGDR2PPARDPPARAPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed