SCHEMBL9049119

SCHEMBL9049119

CC(C#Cc1cc2ccccc2s1)N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 1.00
CYP1A2 P05177 2/20 0.59
EPHX2 P34913 2/20 0.59
PTGES O14684 1/20 0.59
LMNA P02545 1/20 0.59
LTA4H P09960 1/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
ALOX5AP P20292 1/20 0.59
LOX P28300 1/20 0.59
PTGS2 P35354 1/20 0.59
LTB4R Q15722 1/20 0.59
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51

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
SCHEMBL8883457 0.84 ALOX5 (0.72) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL8306784 0.84 ALOX5 (0.72) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL8309069 0.83 ALOX5 (0.71) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL8309074 0.83 ALOX5 (0.71) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL8309061 0.83 ALOX5 (0.71) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL9475942 0.80 ALOX5 (0.66) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL5196102 0.76 ALOX5 (0.60) ALOX5CYP1A2EPHX2PTGESLMNA
SCHEMBL8304458 0.75 ALOX5 (0.60) ALOX5EPHX2ACACBACACA
SCHEMBL9351477 0.75 ALOX5 (0.65) ALOX5EPHX2ACACBACACA
Zileuton SCHEMBL126156 0.74 ALOX5 (1.00) ALOX5CYP1A2EPHX2PTGESLMNA

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