SCHEMBL9047676

SCHEMBL9047676

CC(C#Cc1ccc(-c2ccccc2)o1)N(O)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.60
EPHX2 P34913 2/20 0.50
HRH1 P35367 1/20 0.48
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL9049153 0.83 ALOX5 (0.60) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9047501 0.82 ALOX5 (0.70) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9048496 0.81 ALOX5 (0.54) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9049067 0.80 ALOX5 (0.77) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9049030 0.79 ALOX5 (0.79) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8308436 0.78 ALOX5 (0.54) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9047843 0.77 ALOX5 (0.70) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9049256 0.77 ALOX5 (0.80) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9046999 0.77 ALOX5 (0.50) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8965068 0.77 ALOX5 (0.61) 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