SCHEMBL20144679

SCHEMBL20144679

CCc1cccc(CN(CC2CO2)CC2CO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
BCHE P06276 1/20 0.34
SPHK2 Q9NRA0 3/20 0.33
SPHK1 Q9NYA1 2/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL44458 0.92 ALDH1A1 (0.39) SMN1; SMN2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL15314659 0.92 ALDH1A1 (0.39) SMN1; SMN2TSHRGRIN2DGRIN3BGRIN1
SCHEMBL18900935 0.86 MEN1 (0.30)
SCHEMBL16640948 0.85 HTT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24085992 0.84 OPRM1 (0.44) S1PR1
SCHEMBL27794052 0.84 SLC6A2 (0.41) CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL20144628 0.84 SPHK2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16640967 0.83 HTT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1893856 0.83 OPRK1 (0.43)
SCHEMBL19544339 0.82 TSHR (0.34) SMN1; SMN2TSHRGRIN2DGRIN3BGRIN1

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
EP-2687568-B1 Adhesive, adhesive tape, and display device SAMSUNG DISPLAY CO LTD (KR) 2018-05-16 EP disclosed