SCHEMBL9048100

SCHEMBL9048100

CCc1ccc(C#CC(C)N(O)C(=O)NC)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.47
ALOX5 P09917 7/20 0.41
PLK1 P53350 1/20 0.41
EPHX2 P34913 3/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37

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
SCHEMBL9046613 0.84 ALOX5 (0.43) ACACBALOX5EPHX2MMP2MMP9
SCHEMBL9048114 0.83 ALOX5 (0.43) ACACBALOX5EPHX2
SCHEMBL9047965 0.83 ALOX5 (0.43) ACACBALOX5EPHX2
SCHEMBL9047863 0.83 ALOX5 (0.59) ACACBALOX5EPHX2
SCHEMBL9047354 0.83 ALOX5 (0.43) ACACBALOX5EPHX2MMP2MMP9
SCHEMBL9048409 0.82 ALOX5 (0.53) ACACBALOX5EPHX2
SCHEMBL9370185 0.72 ALOX5 (0.57) ACACBALOX5EPHX2
SCHEMBL8948277 0.70 ALOX5 (0.78) ACACBALOX5EPHX2
SCHEMBL9047292 0.66 ALOX5 (0.64) ACACBALOX5EPHX2
SCHEMBL9473424 0.66 FFAR1 (0.50) 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 3 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 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