SCHEMBL9217059

SCHEMBL9217059

ON=C1COc2cc(OCc3ccccc3F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.60
MAOA P21397 1/20 0.45
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 3/20 0.43
PARP14 Q460N5 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN3A Q9NY46 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9217058 1.00 MAOB (0.60) MAOBMAOANPC1CASP3RAB9A
SCHEMBL9275512 0.87 MAOB (0.45) MAOBMAOANPC1RAB9AMAPT
SCHEMBL9273658 0.87 MAOB (0.45) MAOBMAOANPC1RAB9AMAPT
SCHEMBL9273661 0.87 MAOB (0.45) MAOBMAOANPC1RAB9AMAPT
SCHEMBL9275513 0.87 MAOB (0.45) MAOBMAOANPC1RAB9AMAPT
SCHEMBL8877242 0.87 MAOB (0.44) MAOBMAOANPC1RAB9ANPSR1
SCHEMBL8877247 0.87 MAOB (0.44) MAOBMAOANPC1RAB9ANPSR1
SCHEMBL9487931 0.83 MAOB (0.66) MAOBMAOANPC1RAB9ANPSR1
SCHEMBL9487929 0.83 MAOB (0.66) MAOBMAOANPC1RAB9ANPSR1
SCHEMBL9220021 0.81 MAOB (0.78) MAOBMAOANPC1RAB9APARP15

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