SCHEMBL9049644

SCHEMBL9049644

CC(C#CCCc1cccc(Oc2ccccn2)c1)N(O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.48
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MGLL Q99685 1/20 0.38
PTGS2 P35354 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.36
PPARG P37231 1/20 0.36
LOX P28300 2/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL9049762 0.85 ALOX5 (0.51) ALOX5ACACBACACAPTGS2LOXL2
SCHEMBL9048902 0.81 ALOX5 (0.74) ALOX5ACACBACACAEPHX2
SCHEMBL9049066 0.77 ALOX5 (0.47) ALOX5ACACBACACAEPHX2
SCHEMBL9048632 0.76 ALOX5 (0.69) ALOX5ACACBACACAEPHX2
SCHEMBL9367947 0.73 ALOX5 (0.44) ALOX5ACACBACACAEPHX2
SCHEMBL9054816 0.73 ALOX5 (0.61) ALOX5ACACBACACA
SCHEMBL9046325 0.73 ALOX5 (0.55) ALOX5ACACBACACAPTGS2PPARG
SCHEMBL9047289 0.72 ALOX5 (0.60) ALOX5ACACBACACAEPHX2
SCHEMBL9048427 0.72 ALOX5 (0.66) ALOX5ACACBACACAEPHX2
SCHEMBL9048874 0.72 TLR4 (0.45) MGLLPTGS2LOXL2LOX

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