SCHEMBL9258722

SCHEMBL9258722

COC1(c2cc(F)cc(Sc3ccc(C(C)NO)cc3)c2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.42
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
SCHEMBL9256176 0.90 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9037267 0.88 ALOX5 (0.44) ALOX5PTGS1PTGS2
SCHEMBL9047341 0.86 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9035202 0.86 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9212677 0.84 ALOX5 (0.42) ALOX5PTGS1
SCHEMBL9036639 0.83 ALOX5 (0.46) ALOX5PTGS1PTGS2
SCHEMBL9213730 0.82 ALOX5 (0.44) ALOX5PTGS1
SCHEMBL9301044 0.82 ALOX5 (0.47) ALOX5PTGS1
SCHEMBL9568568 0.81 ALOX5 (0.43) ALOX5PTGS1PTGS2
SCHEMBL9268918 0.81 ALOX5 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453439-A Antiinflammatory agent, antiallergen; lipoxygenase inhibitor ZENECA LIMITED (GB) 1995-09-26 US disclosed
EP-0555067-A1 Hydroxylamine derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed