SCHEMBL9050306

SCHEMBL9050306

O=C1C=CC(=O)C(COc2cccc(I)c2)=C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.39
▸ MAOA P21397 4/20 0.39
▸ APP P05067 6/20 0.39
▸ TOP1 P11387 1/20 0.37
▸ NR4A2 P43354 1/20 0.35
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL8440875 0.80 MAOA (0.55) MAOBMAOAAPPTOP1
SCHEMBL9077007 0.74 ERBB2 (0.41) MAOBMAOAIDO1
SCHEMBL9076984 0.72 ACACB (0.39) MAOBMAOA
SCHEMBL21246500 0.69 APP (0.42) APPIDO1
SCHEMBL314468 0.68 APP (0.63) MAOBMAOAAPPNR4A2
Formaldehyde SCHEMBL27783224 0.68 NR4A2 (0.61) MAOBMAOAAPPNR4A2
SCHEMBL21177828 0.67 APP (0.43) APPIDO1
SCHEMBL22345190 0.67 APP (0.43) MAOBAPPIDO1
SCHEMBL1079030 0.67 ALDH1A1 (0.46) MAOBMAOA
SCHEMBL10458635 0.66 KCNH2 (0.44) APP

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
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