SCHEMBL21132002

SCHEMBL21132002

CCCCN(COCC)Cc1cccc(CN(CC2CO2)CC2CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
BCHE P06276 5/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MAPT P10636 1/20 0.34
SPHK2 Q9NRA0 3/20 0.34
SPHK1 Q9NYA1 2/20 0.34
DRD2 P14416 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PTPN1 P18031 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL21100829 0.94 OPRM1 (0.34) HTTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL16640948 0.89 HTT (0.43) HTTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL19544339 0.89 TSHR (0.34) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640967 0.87 HTT (0.44) HTTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL16640947 0.82 BCHE (0.37) HTTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL16641035 0.81 HTT (0.36) HTTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL20144628 0.80 SPHK2 (0.51) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16640946 0.80 BCHE (0.37) HTTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL44458 0.79 ALDH1A1 (0.39) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15314659 0.79 ALDH1A1 (0.39) BCHEGRIN2DGRIN3BGRIN1GRIN2A

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-2019113781-A1 REMOVABLE PRESSURE-SENSITIVE ADHESIVES WITH HIGH PEEL STRENGTH AND REMOVABILITY AVERY DENNISON CORPORATION (US) 2019-06-20 WO disclosed