SCHEMBL9036639

SCHEMBL9036639

COC1(c2cc(F)cc(Sc3ccc(C(C)ON=C(C)C)cc3)c2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.46
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL9264293 0.89 ALOX5 (0.41) ALOX5PTGS1PTGS2
SCHEMBL9269473 0.87 ALOX5 (0.41) ALOX5PTGS1PTGS2
SCHEMBL9037267 0.86 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9301044 0.84 ALOX5 (0.47) ALOX5PTGS1
SCHEMBL9047341 0.84 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9035202 0.83 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9258722 0.83 ALOX5 (0.42) ALOX5PTGS1PTGS2
SCHEMBL9250463 0.83 ALOX5 (0.52) ALOX5PTGS1
SCHEMBL9219056 0.82 ALOX5 (0.42) ALOX5PTGS1PTGS2
SCHEMBL9213730 0.82 ALOX5 (0.44) ALOX5PTGS1

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-0570196-B1 Oxime derivatives ZENECA LTD (GB) 1996-03-06 EP claimed
US-5457125-A Inhibitors of 5-lipoxygenase; antiallergens, antiinflammatory agents ZENECA LIMITED (GB) 1995-10-10 US disclosed
US-5376680-A Inhibitors of the enzyme 5-lipoxygenase ZENECA LIMITED (GB) 1994-12-27 US disclosed