SCHEMBL9458992

SCHEMBL9458992

CC1(C)Cc2c(-c3ccccc3)c(-c3ccccc3)c(CC(=O)O)n2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.86
PTGS1 P23219 4/20 0.86
PTGES O14684 2/20 0.86
ALOX5AP P20292 1/20 0.86
PTGS2 P35354 1/20 0.86

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
SCHEMBL12203023 0.94 ALOX5 (0.81) ALOX5PTGS1PTGESALOX5APPTGS2
Licofelone SCHEMBL237833 0.93 ALOX5 (1.00) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL18782756 0.93 ALOX5 (0.79) ALOX5PTGS1PTGESALOX5APPTGS2
Licofelone SCHEMBL1843506 0.89 PTGES (0.92) ALOX5PTGS1PTGESALOX5APPTGS2
Licofelone SCHEMBL7737421 0.87 PTGES (0.88) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL4148447 0.85 ALOX5 (1.00) ALOX5PTGS1PTGESALOX5APPTGS2
Licofelone SCHEMBL1394262 0.85 PTGES (0.84) ALOX5PTGS1PTGESALOX5APPTGS2
Licofelone SCHEMBL1393673 0.84 PTGES (0.83) ALOX5PTGS1PTGESALOX5APPTGS2
SCHEMBL12997542 0.84 PTGES (0.73) ALOX5PTGS1PTGESALOX5APPTGS2
Methanesulfonamide SCHEMBL7843333 0.84 ALOX5 (0.67) ALOX5PTGS1PTGESALOX5APPTGS2

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
US-5260451-A Enzyme inhibitors MERCKLE GMBH (DE) 1993-11-09 US disclosed