SCHEMBL9045824

SCHEMBL9045824

COC1(c2cc(F)cc(Sc3ccc(C(C)=O)cn3)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.43
PTGS1 P23219 5/20 0.40
PTGS2 P35354 3/20 0.39

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
SCHEMBL9049664 0.89 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9076796 0.88 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9049483 0.86 ALOX5 (0.51) ALOX5
SCHEMBL9048690 0.84 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9048624 0.82 ALOX5 (0.41) ALOX5PTGS1PTGS2
SCHEMBL9076954 0.82 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9048645 0.81 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9046540 0.77 ALOX5 (0.47) ALOX5
SCHEMBL9047280 0.77 ALOX5 (0.46) ALOX5PTGS1PTGS2
SCHEMBL9045791 0.77 ALOX5 (0.46) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
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
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed