SCHEMBL9047748

SCHEMBL9047748

CC(C#Cc1cccc(OCc2ccccc2)c1)N(O)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.73
ACACB O00763 2/20 0.54
EPHX2 P34913 12/20 0.53
MAOB P27338 1/20 0.49
ACACA Q13085 1/20 0.48
NR4A2 P43354 1/20 0.48

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
SCHEMBL9048294 0.89 ALOX5 (0.66) ALOX5ACACBEPHX2ACACA
SCHEMBL9046388 0.85 ALOX5 (1.00) ALOX5ACACBEPHX2ACACA
SCHEMBL9347884 0.82 ALOX5 (0.67) ALOX5ACACBEPHX2ACACA
SCHEMBL9051550 0.82 ALOX5 (0.60) ALOX5
SCHEMBL9054917 0.82 ALOX5 (0.77) ALOX5EPHX2
SCHEMBL9079182 0.81 ALOX5 (0.60) ALOX5ACACBEPHX2ACACA
SCHEMBL9046903 0.81 ALOX5 (0.74) ALOX5EPHX2
SCHEMBL9048674 0.79 ALOX5 (0.71) ALOX5ACACBEPHX2ACACA
SCHEMBL9046473 0.79 ALOX5 (0.75) ALOX5ACACBEPHX2ACACA
SCHEMBL9048902 0.78 ALOX5 (0.74) ALOX5ACACBEPHX2ACACA

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