SCHEMBL8769759

SCHEMBL8769759

N[C@@H](CS(=O)(=O)O)C(=O)O.O=C(O)C[C@@H](C(=O)O)N1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.36
HSD17B10 Q99714 1/20 0.33
KYNU Q16719 2/20 0.32
NOS2 P35228 1/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
GRM1 Q13255 2/20 0.32
GRM2 Q14416 2/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GSR P00390 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 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
Aspartic Acid SCHEMBL150400 0.83 DPP7 (0.46) DPP7HSD17B10GRIK1GRIK2GRM1
Aspartic Acid SCHEMBL1959842 0.83 DPP7 (0.46) DPP7HSD17B10GRIK1GRIK2GRM1
SCHEMBL8562008 0.79 HSD17B10 (0.43) HSD17B10POLBMAPK1L3MBTL1MAPT
SCHEMBL17706711 0.79 HSD17B10 (0.43) HSD17B10POLBMAPK1L3MBTL1MAPT
SCHEMBL11713448 0.79 HSD17B10 (0.43) HSD17B10POLBMAPK1L3MBTL1MAPT
Glutamic Acid SCHEMBL8560921 0.78 GRM8 (0.60) DPP7GRIK1GRIK2GRM1GRM2
SCHEMBL44031 0.77 PTGS1 (0.46) KYNUNOS2GRIK1GRIK2GRM1
SCHEMBL21518548 0.77 PTGS1 (0.46) KYNUNOS2GRIK1GRIK2GRM1
SCHEMBL30600100 0.77 PTGS1 (0.46) KYNUNOS2GRIK1GRIK2GRM1
SCHEMBL44030 0.77 PTGS1 (0.46) KYNUNOS2GRIK1GRIK2GRM1

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-0796842-A2 Ethylene aspartate cysteate sequestrants, methods of producing them and detergent compositions containing them UNILEVER PLC (GB) 1997-09-24 EP disclosed