SCHEMBL9079182

SCHEMBL9079182

CC(C#Cc1cccc(OCC2=CC(=O)C=CC2=O)c1)N(O)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.60
EPHX2 P34913 16/20 0.44
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL9076984 0.83 ACACB (0.39) ALOX5ACACB
SCHEMBL9077389 0.83 ALOX5 (0.69) ALOX5EPHX2ACACBACACA
SCHEMBL9047748 0.81 ALOX5 (0.73) ALOX5EPHX2ACACBACACA
SCHEMBL9347884 0.77 ALOX5 (0.67) ALOX5EPHX2ACACBACACA
SCHEMBL9046388 0.75 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL9051550 0.75 ALOX5 (0.60) ALOX5
SCHEMBL9046473 0.74 ALOX5 (0.75) ALOX5EPHX2ACACBACACA
SCHEMBL9047251 0.73 ALOX5 (0.84) ALOX5EPHX2ACACBACACA
SCHEMBL9048463 0.73 ALOX5 (0.84) ALOX5EPHX2ACACBACACA
SCHEMBL9054917 0.73 ALOX5 (0.77) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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