SCHEMBL9047628

SCHEMBL9047628

Cc1ccc(Oc2cccc(C#CCN(O)C(N)=O)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.82
EPHX2 P34913 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 2/20 0.41
MMP13 P45452 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
LTA4H P09960 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9049044 0.91 ALOX5 (0.82) ALOX5EPHX2FFAR1HAO1
SCHEMBL9045840 0.90 ALOX5 (1.00) ALOX5EPHX2HAO1ALOX12PTGS1
SCHEMBL9045831 0.88 ALOX5 (0.82) ALOX5EPHX2HAO1ALOX12
SCHEMBL9048852 0.81 ALOX5 (0.74) ALOX5EPHX2HAO1TDP1
SCHEMBL9049379 0.78 ALOX5 (0.73) ALOX5EPHX2FFAR4FFAR1HAO1
SCHEMBL9048463 0.78 ALOX5 (0.84) ALOX5EPHX2ALOX12
SCHEMBL9048629 0.73 ALOX5 (0.69) ALOX5EPHX2FFAR1
SCHEMBL9049640 0.72 ALOX5 (0.67) ALOX5ALOX12PTGS1PTGS2TDP1
SCHEMBL6369244 0.71 SRD5A2 (0.53) ALOX5FFAR4FFAR1HAO1L3MBTL1
SCHEMBL14129705 0.70 SRD5A2 (0.51) ALOX5FFAR4FFAR1HAO1L3MBTL1

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