SCHEMBL9045406

SCHEMBL9045406

Fc1ccc(OC=CCOc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 4/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PLA2G2A P14555 1/20 0.37
MAOB P27338 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL6326458 0.89 AOC3 (0.59) AOC3LTA4HALDH1A1RECQLLMNA
SCHEMBL31453516 0.77 NFE2L2 (0.53) AOC3MEN1KMT2AMAOBNPC1
SCHEMBL9618105 0.77 MAOB (0.48) L3MBTL1LTA4HEPHX2MEN1ALDH1A1
SCHEMBL9618106 0.77 MAOB (0.43) L3MBTL1LTA4HEPHX2MEN1KMT2A
SCHEMBL419305 0.74 AOC3 (0.78) AOC3CYP2C19TDP1LTA4HALDH1A1
SCHEMBL419306 0.74 AOC3 (0.78) AOC3CYP2C19TDP1LTA4HALDH1A1
SCHEMBL8671057 0.73 CYP1A2 (0.66) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL31453512 0.72 NFE2L2 (0.47) AOC3MEN1KMT2AMAOBDRD2
SCHEMBL11553436 0.72 AOC3 (0.57) AOC3LTA4HALDH1A1RECQLLMNA
SCHEMBL8572677 0.72 IDO1 (0.53) AOC3LTA4HPLA2G2AKCNA3HRH1

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 6 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 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