SCHEMBL9047829

SCHEMBL9047829

COC1(c2cc(F)cc(Sc3ccc(C(O)c4nccs4)cc3)c2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.41
ALOX5 P09917 9/20 0.41
KCNH2 Q12809 5/20 0.39
PTGS1 P23219 2/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9037267 0.82 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9047862 0.80 ALOX5 (0.41) ALOX5PTGS1PTGS2
SCHEMBL9047341 0.80 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9076925 0.79 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9035202 0.78 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9258722 0.77 ALOX5 (0.42) ALOX5PTGS1PTGS2
SCHEMBL9268918 0.75 ALOX5 (0.45) ALOX5PTGS1PTGS2
SCHEMBL9256176 0.75 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9218816 0.75 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9048209 0.75 ALOX5 (0.44) ALOX5PTGS1PTGS2

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