SCHEMBL9047251

SCHEMBL9047251

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.84
EPHX2 P34913 7/20 0.54
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9046388 0.92 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL9048463 0.91 ALOX5 (0.84) ALOX5EPHX2ACACBACACAMEN1
Fenleuton SCHEMBL74861 0.90 ALOX5 (1.00) ALOX5EPHX2ACACBACACAMEN1
Fenleuton SCHEMBL31539081 0.90 ALOX5 (1.00) ALOX5EPHX2ACACBACACAMEN1
SCHEMBL9046519 0.90 ALOX5 (0.83) ALOX5EPHX2ACACBACACA
SCHEMBL9049055 0.88 ALOX5 (0.79) ALOX5EPHX2ACACBACACAMEN1
SCHEMBL9047950 0.87 ALOX5 (0.83) ALOX5EPHX2ACACBACACAMEN1
SCHEMBL9046415 0.84 ALOX5 (0.74) ALOX5EPHX2ACACBACACA
SCHEMBL9047878 0.84 ALOX5 (0.78) ALOX5EPHX2ACACBACACAMEN1
SCHEMBL9047572 0.84 ALOX5 (0.78) ALOX5EPHX2ACACBACACAMEN1

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