SCHEMBL9533396

SCHEMBL9533396

CCOC(=O)C=Cc1c(-c2ccc(F)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
PTGS1 P23219 4/20 0.46
PTGES O14684 3/20 0.46
ALOX5AP P20292 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL9535514 0.90 ALOX5 (0.46) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9534066 0.87 ALOX5 (0.54) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9536280 0.79 ALOX5 (0.48) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9458555 0.77 ALOX5 (0.52) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL9458503 0.75 ALOX5 (0.70) ALOX5PTGS1PTGES
SCHEMBL9531975 0.72 PTGES (0.80) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL13844797 0.69 PTGES (0.61) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL3984072 0.69 PTGES (0.77) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL1879669 0.68 CYP2C9 (0.60) PTGS2
SCHEMBL1879667 0.68 CYP2C9 (0.60) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
EP-0397175-B1 Substituted pyrrolizine compounds and theit use as pharmaceuticals DANNHARDT GERD PROF DR (DE) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed