SCHEMBL20144628

SCHEMBL20144628

CCCCCc1cccc(CN(CC2CO2)CC2CO2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.51
SPHK1 Q9NYA1 5/20 0.51
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
BCHE P06276 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 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
SCHEMBL16640948 0.87 HTT (0.43) SPHK2SPHK1BCHEKCNH2GRIN2D
SCHEMBL16640967 0.86 HTT (0.44) SPHK2SPHK1BCHEKCNH2GRIN2D
SCHEMBL44458 0.85 ALDH1A1 (0.39) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15314659 0.85 ALDH1A1 (0.39) BCHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20144679 0.84 NISCH (0.35) SPHK2SPHK1BCHEGRIN2DGRIN3B
SCHEMBL1893856 0.82 OPRK1 (0.43)
SCHEMBL21132002 0.80 HTT (0.38) SPHK2SPHK1BCHEGRIN2DGRIN3B
SCHEMBL16640968 0.79 ALOX5 (0.43) SPHK2SPHK1BCHEGRIN2DGRIN3B
SCHEMBL24085992 0.78 OPRM1 (0.44)
SCHEMBL27794052 0.78 SLC6A2 (0.41)

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