SCHEMBL9047623

SCHEMBL9047623

COc1ccc(Oc2ccc(C#CC(C)N(O)C(N)=O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.55
ACACA Q13085 1/20 0.55
ALOX5 P09917 15/20 0.53
EPHX2 P34913 2/20 0.53

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
SCHEMBL7206818 0.91 ALOX5 (0.64) ACACBACACAALOX5EPHX2
SCHEMBL9055523 0.89 ACACB (0.65) ACACBACACAALOX5EPHX2
SCHEMBL9048145 0.88 ALOX5 (0.59) ACACBACACAALOX5EPHX2
SCHEMBL9045275 0.88 ACACB (0.53) ACACBACACAALOX5EPHX2
SCHEMBL9049700 0.81 ALOX5 (0.53) ACACBACACAALOX5EPHX2
SCHEMBL9046363 0.79 ALOX5 (0.55) ACACBACACAALOX5EPHX2
SCHEMBL9049082 0.79 ALOX5 (0.59) ACACBACACAALOX5EPHX2
SCHEMBL9047913 0.76 ALOX5 (0.59) ACACBACACAALOX5EPHX2
SCHEMBL9047637 0.75 ALOX5 (0.65) ACACBACACAALOX5EPHX2
SCHEMBL9049183 0.75 ALOX5 (0.58) ACACBACACAALOX5EPHX2

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-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
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed