SCHEMBL9047411

SCHEMBL9047411

CC(C#Cc1ccco1)N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 1.00
EPHX2 P34913 2/20 0.44
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
HRH1 P35367 1/20 0.41

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
SCHEMBL9047501 0.83 ALOX5 (0.70) ALOX5EPHX2ACACBACACAHRH1
SCHEMBL9046513 0.76 ALOX5 (0.60) ALOX5EPHX2
SCHEMBL9048674 0.75 ALOX5 (0.71) ALOX5EPHX2ACACBACACA
SCHEMBL9054750 0.75 ALOX5 (0.60) ALOX5EPHX2ACACBACACAHRH1
SCHEMBL9049153 0.75 ALOX5 (0.60) ALOX5EPHX2ACACBACACAHRH1
SCHEMBL9049293 0.75 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL9049215 0.74 ALOX5 (0.59) ALOX5EPHX2ACACBACACAHRH1
SCHEMBL9047843 0.74 ALOX5 (0.70) ALOX5EPHX2ACACBACACAHRH1
SCHEMBL9047676 0.74 ALOX5 (0.60) ALOX5EPHX2ACACBACACAHRH1
SCHEMBL12394781 0.71 ALOX5 (0.54) ALOX5

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