SCHEMBL4086803

SCHEMBL4086803

COC(=O)Cc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.80
ALOX5 P09917 1/20 0.80
ALOX5AP P20292 1/20 0.80
PTGS1 P23219 1/20 0.80
PTGS2 P35354 1/20 0.80

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
SCHEMBL18782717 0.91 PTGES (0.78) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL6505087 0.91 PTGES (0.78) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL3984072 0.90 PTGES (0.77) PTGESALOX5ALOX5APPTGS1PTGS2
Licofelone SCHEMBL237833 0.89 ALOX5 (1.00) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL6502826 0.89 PTGES (0.76) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL13697422 0.88 PTGES (0.85) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL18782719 0.88 PTGES (0.74) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL18782759 0.88 PTGES (0.74) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL20415012 0.87 PTGES (0.73) PTGESALOX5ALOX5APPTGS1PTGS2
SCHEMBL4087247 0.87 PTGES (0.83) PTGESALOX5ALOX5APPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009056077-A2 A NEW METHOD OF MANUFACTURING 2-(6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-LH-PYRROLIZINE-5-YL)ACETIC ACID (LICOFELONE) ZENTIVA, A.S. (CZ) 2009-05-07 WO claimed
WO-2009056077-A2 A NEW METHOD OF MANUFACTURING 2-(6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-LH-PYRROLIZINE-5-YL)ACETIC ACID (LICOFELONE) ZENTIVA, A.S. (CZ) 2009-05-07 WO disclosed