SCHEMBL9047113

SCHEMBL9047113

CC(C#CCOc1cccc(Oc2cccnc2)c1)N(O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 1/20 0.40
GRM5 P41594 1/20 0.39
CYP19A1 P11511 1/20 0.38
GPR132 Q9UNW8 1/20 0.38

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
SCHEMBL9048582 0.90 ALOX5 (0.55) ALOX5ACACBACACALMNA
SCHEMBL9048427 0.87 ALOX5 (0.66) ALOX5ACACBACACALMNATDP1
SCHEMBL9049762 0.84 ALOX5 (0.51) ALOX5ACACBACACAPPARGGRM5
SCHEMBL9047852 0.82 ALOX5 (0.76) ALOX5ACACBACACALMNATDP1
SCHEMBL9047820 0.81 ALOX5 (0.51) ALOX5LMNATDP1PPARGGRM5
SCHEMBL9046472 0.79 ALOX5 (0.58) ALOX5ACACBACACA
SCHEMBL9049220 0.76 ALOX5 (0.54) ALOX5ACACBACACACYP19A1
SCHEMBL9054816 0.73 ALOX5 (0.61) ALOX5ACACBACACALMNA
SCHEMBL9046483 0.72 ALOX5 (0.67) ALOX5ACACBACACA
SCHEMBL9048632 0.72 ALOX5 (0.69) ALOX5ACACBACACALMNA

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