SCHEMBL9049044

SCHEMBL9049044

COc1ccc(Oc2cccc(C#CCN(O)C(N)=O)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.82
EPHX2 P34913 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
FFAR1 O14842 1/20 0.41
MTNR1B P49286 2/20 0.40
PARP10 Q53GL7 1/20 0.40
HAO1 Q9UJM8 2/20 0.40
MTNR1A P48039 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PTGES O14684 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL9047628 0.91 ALOX5 (0.82) ALOX5EPHX2FFAR1HAO1
SCHEMBL9045840 0.90 ALOX5 (1.00) ALOX5EPHX2HAO1
SCHEMBL9045831 0.88 ALOX5 (0.82) ALOX5EPHX2HAO1
SCHEMBL9048852 0.81 ALOX5 (0.74) ALOX5EPHX2HAO1
SCHEMBL9049379 0.78 ALOX5 (0.73) ALOX5EPHX2FFAR1HAO1
SCHEMBL9047251 0.78 ALOX5 (0.84) ALOX5EPHX2
SCHEMBL9476259 0.73 PTGES (0.58) ALOX5FFAR1PTGESCA12CA1
SCHEMBL9048629 0.73 ALOX5 (0.69) ALOX5EPHX2FFAR1
SCHEMBL9049640 0.72 ALOX5 (0.67) ALOX5
SCHEMBL14129699 0.70 SRD5A2 (0.51) ALOX5FFAR1HAO1HSD17B1HSD17B2

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 7 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
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