SCHEMBL9046325

SCHEMBL9046325

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.55
EPHX2 P34913 5/20 0.47
PTGS2 P35354 1/20 0.40
HAO1 Q9UJM8 3/20 0.39
PPARG P37231 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9048902 0.87 ALOX5 (0.74) ALOX5EPHX2ACACBACACA
SCHEMBL9049379 0.78 ALOX5 (0.73) ALOX5EPHX2PTGS2HAO1
SCHEMBL9047172 0.77 ALOX5 (0.59) ALOX5EPHX2HAO1ACACBACACA
SCHEMBL9046473 0.77 ALOX5 (0.75) ALOX5EPHX2ACACBACACAHTT
SCHEMBL9049762 0.75 ALOX5 (0.51) ALOX5PTGS2PPARGACACBACACA
SCHEMBL9049644 0.73 ALOX5 (0.48) ALOX5EPHX2PTGS2PPARGACACB
SCHEMBL9046415 0.72 ALOX5 (0.74) ALOX5EPHX2ACACBACACA
SCHEMBL9047692 0.72 ALOX5 (0.71) ALOX5EPHX2ACACBACACA
SCHEMBL9046388 0.72 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL9047258 0.71 ALOX5 (0.69) ALOX5EPHX2ACACBACACA

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