SCHEMBL21300548

SCHEMBL21300548

CCCCOc1ccc2c(c1)CCCC2=O.O=C1CCCc2cc(O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.64
MAOA P21397 13/20 0.64
PRKCI P41743 1/20 0.64
MEN1 O00255 1/20 0.61
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL9222772 0.92 MAOB (0.69) MAOBMAOAHRH3
SCHEMBL14382308 0.88 MAOB (0.65) MAOBMAOAHRH3
SCHEMBL6825904 0.86 MAOB (0.67) MAOBMAOAHRH3
SCHEMBL8272631 0.83 MAOB (0.69) MAOBMAOAMEN1NPC1ALDH1A1
SCHEMBL722736 0.83 MEN1 (0.63) MAOBMEN1NPC1ALDH1A1GAA
SCHEMBL21297626 0.81 MAOB (0.88) MAOBMAOAPRKCINPC1ALDH1A1
SCHEMBL1377016 0.81 MAOB (0.69) MAOBMAOAHRH3
SCHEMBL27974960 0.81 MAOB (0.66) MAOBMAOAMEN1NPC1ALDH1A1
SCHEMBL6825249 0.81 MAOB (0.66) MAOBMAOAHRH3
SCHEMBL228128 0.80 MAOA (1.00) MAOBMAOAPRKCIMEN1KMT2A

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-2019163917-A1 COMPOUND HAVING S1P5 RECEPTOR AGONIST ACTIVITY 小野薬品工業株式会社 2019-08-29 WO disclosed