SCHEMBL9215577

SCHEMBL9215577

O=C1COc2cc(OCc3ccc(F)cc3F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.60
MAOA P21397 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
CYP2C19 P33261 1/20 0.57
GRM5 P41594 3/20 0.55
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL9273405 0.90 MAOB (0.60) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL9220021 0.86 MAOB (0.78) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL9273535 0.83 NPC1 (0.81) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL9273658 0.82 MAOB (0.45) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL9273661 0.82 MAOB (0.45) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL8876758 0.80 MAOB (0.66) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL9279668 0.79 MAOB (0.68) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL15211524 0.78 MAOB (0.60) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL25226171 0.77 MAOB (0.60) MAOBMAOAGRM5GSK3BBACE1
SCHEMBL30488305 0.77 MAOB (0.60) MAOBMAOAGRM5GSK3BBACE1

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-1995002402-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed