SCHEMBL3984072

SCHEMBL3984072

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

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.77
ALOX5 P09917 2/20 0.77
PTGS1 P23219 2/20 0.77
ALOX5AP P20292 1/20 0.77
PTGS2 P35354 1/20 0.77

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 0.93 PTGES (0.78) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6503465 0.92 PTGES (0.64) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6495216 0.90 PTGES (0.62) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL18782719 0.90 PTGES (0.74) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL18782759 0.90 PTGES (0.74) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL4086803 0.90 PTGES (0.80) PTGESALOX5PTGS1ALOX5APPTGS2
Licofelone SCHEMBL7738810 0.89 PTGES (0.83) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6496128 0.89 PTGES (0.61) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6505087 0.89 PTGES (0.78) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL18782715 0.89 PTGES (0.69) PTGESALOX5PTGS1ALOX5APPTGS2

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
WO-2017068053-A1 NEW DERIVATIVES OF LICOFELONE RATIOPHARM GMBH (DE) 2017-04-27 WO disclosed
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
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