SCHEMBL9049640

SCHEMBL9049640

NC(=O)N(O)CC#CCOc1cccc(Oc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.67
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
ALOX12 P18054 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9047075 0.88 ALOX5 (0.59) ALOX5KDM4EALDH1A1MEN1KMT2A
SCHEMBL9047820 0.86 ALOX5 (0.51) ALOX5SMN1; SMN2TDP1
SCHEMBL9047238 0.86 ALOX5 (0.51) ALOX5KDM4EALDH1A1PTGS2
SCHEMBL9045840 0.81 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9048427 0.78 ALOX5 (0.66) ALOX5KDM4EALDH1A1SMN1; SMN2HTR1D
SCHEMBL9045831 0.72 ALOX5 (0.82) ALOX5ALDH1A1ALOX12MEN1KMT2A
SCHEMBL8782626 0.72 KDM4E (0.61) ALOX5KDM4EALDH1A1SMN1; SMN2HTR1D
SCHEMBL9047628 0.72 ALOX5 (0.82) ALOX5ALOX12PTGS1PTGS2TDP1
SCHEMBL9049044 0.72 ALOX5 (0.82) ALOX5
SCHEMBL8550646 0.71 ALOX5 (0.52) ALOX5ALOX12PTGS1PTGS2

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