SCHEMBL9048902

SCHEMBL9048902

CC(C#Cc1cccc(Oc2ccccn2)c1)N(O)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.74
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
EPHX2 P34913 13/20 0.47

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
SCHEMBL9046473 0.88 ALOX5 (0.75) ALOX5ACACBACACAEPHX2
SCHEMBL9047172 0.88 ALOX5 (0.59) ALOX5ACACBACACAEPHX2
SCHEMBL9046325 0.87 ALOX5 (0.55) ALOX5ACACBACACAEPHX2
SCHEMBL9046388 0.85 ALOX5 (1.00) ALOX5ACACBACACAEPHX2
SCHEMBL9047692 0.85 ALOX5 (0.71) ALOX5ACACBACACAEPHX2
SCHEMBL9046415 0.85 ALOX5 (0.74) ALOX5ACACBACACAEPHX2
SCHEMBL9047258 0.84 ALOX5 (0.69) ALOX5ACACBACACAEPHX2
SCHEMBL9047950 0.84 ALOX5 (0.83) ALOX5ACACBACACAEPHX2
SCHEMBL9049762 0.83 ALOX5 (0.51) ALOX5ACACBACACA
SCHEMBL9046380 0.82 ALOX5 (0.70) ALOX5ACACBACACAEPHX2

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 10 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
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