SCHEMBL9077015

SCHEMBL9077015

COC1(c2cc(F)cc(Sc3ccc(C(=NO)c4ccccc4)c(C)c3)c2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.38
PTGS2 P35354 8/20 0.37
PTGS1 P23219 6/20 0.37

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
SCHEMBL9049009 0.91 ALOX5 (0.41) ALOX5PTGS2PTGS1
SCHEMBL9050148 0.86 ALOX5 (0.44) ALOX5PTGS2PTGS1
SCHEMBL9076909 0.84 ALOX5 (0.39) ALOX5PTGS2PTGS1
SCHEMBL9047280 0.81 ALOX5 (0.46) ALOX5PTGS2PTGS1
SCHEMBL9049289 0.80 ALOX5 (0.45) ALOX5PTGS2PTGS1
SCHEMBL9049292 0.80 ALOX5 (0.45) ALOX5PTGS2PTGS1
SCHEMBL9049296 0.80 ALOX5 (0.45) ALOX5PTGS2PTGS1
SCHEMBL9050446 0.79 ALOX5 (0.39) ALOX5PTGS2PTGS1
SCHEMBL9075974 0.79 ALOX5 (0.41) ALOX5PTGS2PTGS1
SCHEMBL9049062 0.79 ALOX5 (0.41) ALOX5PTGS2PTGS1

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
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed