SCHEMBL9048244

SCHEMBL9048244

CO[C@]1(c2csc(Sc3ccc(/C(C)=N/O)c(CC#N)c3)c2)CCO[C@@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36

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
SCHEMBL9273269 0.89 ALOX5 (0.36) ALOX5
SCHEMBL9047345 0.88 ALOX5 (0.39) ALOX5
SCHEMBL9076987 0.88 ALOX5 (0.39) ALOX5
SCHEMBL9047547 0.85 ALOX5 (0.37) ALOX5
SCHEMBL9053776 0.85 ALOX5 (0.37) ALOX5
SCHEMBL9049766 0.85 ALOX5 (0.31) ALOX5
SCHEMBL9075114 0.82 ALOX5 (0.37) ALOX5
SCHEMBL9047012 0.82 ALOX5 (0.46) ALOX5
SCHEMBL9076889 0.82 ALOX5 (0.46) ALOX5
SCHEMBL9076891 0.82 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 3 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 claimed
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