SCHEMBL3662278

SCHEMBL3662278

NC#Cc1ccc2c(c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
ACACB O00763 1/20 0.43
AOC3 Q16853 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
ALOX5 P09917 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
GRM5 P41594 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL23658037 0.94 MAPT (0.53) MAPTKDM4EGAATSHRACACB
SCHEMBL10300112 0.85 ACACB (0.52) MAPTKDM4EGAATSHRACACB
SCHEMBL10191904 0.80 ACACB (0.46) MAPTKDM4EGAATSHRACACB
SCHEMBL28903834 0.77 ACACB (0.44) MAPTKDM4EGAATSHRACACB
SCHEMBL13247286 0.76 KDM4E (0.46) MAPTKDM4EACACBMAOBMAOA
SCHEMBL943860 0.75 PKM (0.54) MAPTKDM4EGAATSHRLMNA
SCHEMBL3030269 0.75 TSHR (0.46) MAPTKDM4EGAATSHRACACB
SCHEMBL4782387 0.73 MAPT (0.51) MAPTGAAACACBLMNAHTT
SCHEMBL31399387 0.71 MAPT (0.53) MAPTKDM4EGAALMNAHTT
SCHEMBL17365209 0.71 MAPT (0.53) MAPTKDM4EGAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235081-A1 BLOCK POLYMER Canon Kabushiki Kaisha (JP) 2010-10-06 EP disclosed
WO-2009090852-A1 BLOCK POLYMER CANON KABUSHIKI KAISHA (JP) 2009-07-23 WO disclosed