SCHEMBL14541925

SCHEMBL14541925

COc1ccc(OCc2ccc(F)c(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.65
MAOA P21397 2/20 0.65
APP P05067 7/20 0.57
ANO1 Q5XXA6 1/20 0.53
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACHE P22303 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL7028448 0.84 MAOB (0.67) MAOBMAOAAPPACHE
SCHEMBL5382147 0.82 MAOB (0.66) MAOBMAOAAPPL3MBTL1RAB9A
SCHEMBL30792426 0.82 MAOB (0.60) MAOBMAOAAPPACHERAB9A
SCHEMBL14088929 0.81 MAOB (0.60) MAOBMAOAAPPPOLBL3MBTL1
SCHEMBL20000873 0.80 APP (0.80) MAOBAPPPOLBRAB9ASMN1; SMN2
SCHEMBL17218765 0.80 MAOA (0.45) MAOBMAOAAPPANO1POLB
SCHEMBL17218769 0.80 MAOA (0.45) MAOBMAOAAPPANO1POLB
SCHEMBL21340442 0.79 MAOB (0.69) MAOBAPPPOLBRAB9ASMN1; SMN2
SCHEMBL190181 0.79 MAOB (0.55) MAOBMAOAAPPPOLBRAB9A
SCHEMBL7026399 0.79 MAOB (1.00) MAOBMAOAL3MBTL1SMN1; 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-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed