SCHEMBL9048729

SCHEMBL9048729

CC(C#Cc1ccc(Oc2ccc(Cc3ccc(F)cc3)cc2)o1)N(O)C(N)=O

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.88
EPHX2 P34913 3/20 0.57

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
SCHEMBL1807930 0.94 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8590069 0.94 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL6438420 0.94 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL12420450 0.85 ALOX5 (0.83) ALOX5EPHX2
SCHEMBL13140099 0.85 ALOX5 (0.83) ALOX5EPHX2
SCHEMBL8933544 0.85 ALOX5 (0.72) ALOX5EPHX2
SCHEMBL9047669 0.84 ALOX5 (0.81) ALOX5EPHX2
SCHEMBL9047929 0.84 ALOX5 (0.81) ALOX5EPHX2
SCHEMBL9047932 0.84 ALOX5 (0.71) ALOX5EPHX2
SCHEMBL9047887 0.83 ALOX5 (0.80) ALOX5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP claimed
EP-0540673-A4 1994-04-27 EP claimed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP claimed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO claimed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed