SCHEMBL8814451

SCHEMBL8814451

N[C@@H](CS(=O)(=O)OC(=O)C(O)CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KYNU Q16719 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRM1 Q13255 2/20 0.33
GRM2 Q14416 2/20 0.33
NOS2 P35228 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL8813240 0.72 GRM8 (0.44) KYNUGRIK1GRIK2GRM1GRM2
SCHEMBL8948818 0.72 SMN1; SMN2 (0.46) SMN1; SMN2GABRR1LMNA
SCHEMBL3661986 0.72 NOS2 (0.47) KYNUGRIK1GRIK2GRM1GRM2
SCHEMBL9782235 0.71 SMN1; SMN2 (0.44) SMN1; SMN2GABRR1LMNA
SCHEMBL8741229 0.69 GABRR1 (0.32) SMN1; SMN2PMP22GABRR1LMNA
Aspartic Acid SCHEMBL850435 0.68 SMN1; SMN2 (0.71) SMN1; SMN2GRIK1GRIK2GRM1GRM2
Aspartic Acid SCHEMBL850433 0.68 SMN1; SMN2 (0.71) SMN1; SMN2GRIK1GRIK2GRM1GRM2
SCHEMBL6691962 0.67 NOS2 (0.42) KYNUNOS2SLC1A3SLC1A2SLC1A1
Aspartic Acid SCHEMBL30865453 0.66 GRIK1 (0.54) SMN1; SMN2GRIK1GRIK2GRM1GRM2
Aspartic Acid SCHEMBL8371963 0.66 GRIK1 (0.54) SMN1; SMN2GRIK1GRIK2GRM1GRM2

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-5663427-A BUILDERS FOR LAUNDRY DETERGENTS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-09-02 US disclosed
WO-1997023450-A1 CYSTEIC MONOSUCCINATE SEQUESTRANTS AND DETERGENT COMPOSITIONS CONTAINING THEM UNILEVER PLC (GB) 1997-07-03 WO disclosed