SCHEMBL28892965

SCHEMBL28892965

N[C@@H](CCC(=O)OCCO)C(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.50
GSR P00390 2/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP1A2 P05177 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
GRIA4 P48058 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL3659197 0.98 SLC1A1 (0.52) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL17654195 0.98 SLC1A1 (0.52) SLC1A1GSRGRM8GRM6GRIN2D
Glutamic Acid SCHEMBL19348257 0.93 GRM8 (0.62) SLC1A1GSRGRM8GRM6GRIN2D
Propene SCHEMBL8462642 0.89 GRIK1 (0.43) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL11684760 0.88 SLC1A1 (0.46) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL5487226 0.88 SLC1A1 (0.46) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL28329645 0.88 NOD1 (0.46) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL11684767 0.88 SLC1A1 (0.46) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL27821702 0.86 NOD1 (0.47) SLC1A1GSRGRM8GRM6GRIN2D
SCHEMBL5424016 0.85 MGLL (0.36) SLC1A1GSRGRM8GRM6GRIN2D

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
CN-115350107-A Makeup removing composition 南京华狮新材料有限公司 2022-11-18 CN disclosed