SCHEMBL14547318

SCHEMBL14547318

COc1ccc(OCc2cccc(OC)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.81
▸ IDO1 P14902 2/20 0.65
▸ AGXT P21549 2/20 0.65
▸ RAB9A P51151 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MRGPRX4 Q96LA9 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ NPC1 O15118 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ BCHE P06276 1/20 0.58
▸ ABCB1 P08183 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ DRD2 P14416 1/20 0.58

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
SCHEMBL13263642 0.92 MAOB (0.79) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL171916 0.91 MAOB (0.73) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL14854755 0.90 MAOB (0.77) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL4412216 0.90 MAOB (0.77) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL1680537 0.90 MAOB (1.00) MAOBIDO1AGXTBCHE
SCHEMBL21260547 0.90 MAOB (0.73) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL16710547 0.87 MAOB (0.71) MAOBIDO1AGXTRAB9AMRGPRX4
SCHEMBL21340758 0.87 MAOB (0.68) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL4412215 0.87 MAOB (0.68) MAOBIDO1AGXTRAB9ASMN1; SMN2
SCHEMBL29304364 0.87 MAOB (0.68) MAOBIDO1AGXTRAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 — — WO disclosed
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