SCHEMBL9047820

SCHEMBL9047820

NC(=O)N(O)CC#CCOc1cccc(Oc2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GRM5 P41594 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL9049640 0.86 ALOX5 (0.67) ALOX5TDP1SMN1; SMN2
SCHEMBL9048852 0.83 ALOX5 (0.74) ALOX5LMNATDP1GRM5CYP19A1
SCHEMBL9047238 0.82 ALOX5 (0.51) ALOX5GRM5PPARG
SCHEMBL9047113 0.81 ALOX5 (0.51) ALOX5LMNATDP1GRM5CYP19A1
SCHEMBL9047075 0.76 ALOX5 (0.59) ALOX5TDP1
SCHEMBL9380777 0.70 ALOX5 (0.76) ALOX5LMNATDP1
SCHEMBL9380781 0.70 ALOX5 (0.76) ALOX5LMNATDP1
SCHEMBL9048582 0.70 ALOX5 (0.55) ALOX5LMNASMN1; SMN2
SCHEMBL11476968 0.68 LMNA (0.73) LMNATDP1GRM5SMN1; SMN2CYP19A1
SCHEMBL9045840 0.68 ALOX5 (1.00) ALOX5

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