SCHEMBL9047852

SCHEMBL9047852

CC(C#Cc1cccc(Oc2cccnc2)c1)N(O)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.76
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
EPHX2 P34913 10/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HAO1 Q9UJM8 2/20 0.44

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
SCHEMBL9047950 0.89 ALOX5 (0.83) ALOX5ACACBACACAEPHX2LMNA
SCHEMBL9046388 0.86 ALOX5 (1.00) ALOX5ACACBACACAEPHX2
SCHEMBL9049220 0.85 ALOX5 (0.54) ALOX5ACACBACACAEPHX2
SCHEMBL9046473 0.84 ALOX5 (0.75) ALOX5ACACBACACAEPHX2
SCHEMBL9047251 0.83 ALOX5 (0.84) ALOX5ACACBACACAEPHX2
SCHEMBL9048463 0.83 ALOX5 (0.84) ALOX5ACACBACACAEPHX2LMNA
Fenleuton SCHEMBL31539081 0.82 ALOX5 (1.00) ALOX5ACACBACACAEPHX2LMNA
SCHEMBL9046519 0.82 ALOX5 (0.83) ALOX5ACACBACACAEPHX2
Fenleuton SCHEMBL74861 0.82 ALOX5 (1.00) ALOX5ACACBACACAEPHX2LMNA
SCHEMBL9047113 0.82 ALOX5 (0.51) ALOX5ACACBACACALMNATDP1

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