SCHEMBL16640947

SCHEMBL16640947

CCCCN(CCC[Si](OCC)(OCC)OCC)Cc1cccc(CN(CC2CO2)CC2CO2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.37
HTT P42858 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPHK2 Q9NRA0 3/20 0.32
SPHK1 Q9NYA1 2/20 0.32
DRD2 P14416 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ACKR3 P25106 1/20 0.31

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
SCHEMBL16640946 0.98 BCHE (0.37) BCHEHTTGRIN2DGRIN3BGRIN1
SCHEMBL16641035 0.97 HTT (0.36) BCHEHTTGRIN2DGRIN3BGRIN1
SCHEMBL16641031 0.97 BCHE (0.34) BCHETSHRHSD17B10
SCHEMBL16640948 0.85 HTT (0.43) BCHEHTTGRIN2DGRIN3BGRIN1
SCHEMBL16640967 0.83 HTT (0.44) BCHEHTTGRIN2DGRIN3BGRIN1
SCHEMBL23521518 0.82 HTT (0.36) HTT
SCHEMBL21132002 0.82 HTT (0.38) BCHEHTTGRIN2DGRIN3BGRIN1
SCHEMBL16641038 0.81 ALOX5 (0.36) BCHE
SCHEMBL23521519 0.78 SMN1; SMN2 (0.30)
SCHEMBL613799 0.78 SMN1; SMN2 (0.30)

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
US-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed