SCHEMBL9048294

SCHEMBL9048294

CC(C#Cc1ccc(OCc2ccccc2)cc1)N(O)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.66
ACACB O00763 1/20 0.52
ACACA Q13085 1/20 0.52
PARP10 Q53GL7 1/20 0.50
EPHX2 P34913 1/20 0.48
LTA4H P09960 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48

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
SCHEMBL9047748 0.89 ALOX5 (0.73) ALOX5ACACBACACAEPHX2
SCHEMBL9048203 0.85 ALOX5 (0.79) ALOX5ACACBACACAEPHX2
SCHEMBL9048674 0.83 ALOX5 (0.71) ALOX5ACACBACACAEPHX2
SCHEMBL9049082 0.80 ALOX5 (0.59) ALOX5ACACBACACAEPHX2
SCHEMBL8965068 0.80 ALOX5 (0.61) ALOX5ACACBACACAEPHX2
SCHEMBL8933773 0.80 ALOX5 (1.00) ALOX5PARP10
Ammonia Solution, Strong SCHEMBL9473339 0.79 ALOX5 (0.97) ALOX5PARP10
SCHEMBL9474724 0.79 ALOX5 (0.97) ALOX5PARP10
SCHEMBL9475019 0.79 ALOX5 (0.97) ALOX5PARP10
SCHEMBL8305355 0.78 ALOX5 (0.58) ALOX5EPHX2

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