SCHEMBL9047667

SCHEMBL9047667

CCCCc1ccc(C#CC(C)N(O)C(N)=O)s1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.64
EPHX2 P34913 5/20 0.64
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL8309861 0.81 ALOX5 (0.82) ALOX5EPHX2ACACBACACA
SCHEMBL8305234 0.81 ALOX5 (0.82) ALOX5EPHX2ACACBACACA
SCHEMBL8303836 0.80 ALOX5 (0.79) ALOX5EPHX2ACACBACACA
SCHEMBL8303838 0.80 ALOX5 (0.79) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2107799 0.78 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL8309173 0.78 ALOX5 (0.76) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2108309 0.78 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL2109638 0.78 ALOX5 (0.80) ALOX5EPHX2ACACBACACAMEN1
SCHEMBL2109641 0.78 ALOX5 (0.80) ALOX5EPHX2ACACBACACAMEN1
SCHEMBL8303854 0.78 ALOX5 (0.66) 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 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