SCHEMBL13844797

SCHEMBL13844797

CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.61
ALOX5 P09917 2/20 0.61
PTGS1 P23219 2/20 0.61
ALOX5AP P20292 1/20 0.61
PTGS2 P35354 1/20 0.61

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
SCHEMBL6503622 0.90 PTGES (0.49) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL14413899 0.86 PTGES (0.67) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL12203021 0.85 PTGES (0.65) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6505066 0.84 PTGES (0.44) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL8397926 0.84 ALOX5 (0.45) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL3984072 0.82 PTGES (0.77) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6505733 0.80 PTGES (0.45) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6505736 0.80 ALOX5 (0.66) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6495185 0.80 ALOX5 (0.51) PTGESALOX5PTGS1ALOX5APPTGS2
Licofelone SCHEMBL7738810 0.79 PTGES (0.83) 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 1 patent. 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 disclosed