SCHEMBL9047274

SCHEMBL9047274

Cc1cc(Oc2ccc(C#CC(C)N(O)C(N)=O)o2)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.76
EPHX2 P34913 2/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL6438420 0.86 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL8590069 0.86 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL1807930 0.86 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL9047929 0.85 ALOX5 (0.81) ALOX5EPHX2ACACBACACA
SCHEMBL9046462 0.84 ALOX5 (0.77) ALOX5EPHX2ACACBACACA
SCHEMBL9047887 0.84 ALOX5 (0.80) ALOX5EPHX2ACACBACACA
SCHEMBL9047578 0.83 ALOX5 (0.72) ALOX5EPHX2ACACBACACA
SCHEMBL9047669 0.83 ALOX5 (0.81) ALOX5EPHX2ACACBACACA
SCHEMBL9049110 0.82 ALOX5 (0.80) ALOX5EPHX2ACACBACACA
SCHEMBL9049256 0.82 ALOX5 (0.80) 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 4 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-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