SCHEMBL434312

SCHEMBL434312

NC(CC(=O)O)C(=O)N(C(=O)C(N)CC(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
GRIK1 P39086 4/20 0.37
GRIK2 Q13002 3/20 0.37
GRM1 Q13255 2/20 0.37
GRM2 Q14416 2/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL28475131 0.89 GRM8 (0.52) GRIK1GRIK2GRM1GRM2GRM8
SCHEMBL28475140 0.89 GRM8 (0.52) GRIK1GRIK2GRM1GRM2GRM8
SCHEMBL10779990 0.83 TDP1 (0.34) TDP1GRIK1GRIK2GRM1GRM2
SCHEMBL28486150 0.81 GRM8 (0.52) GRIK1GRIK2GRM1GRM2GRM8
SCHEMBL28486157 0.81 GRM8 (0.52) GRIK1GRIK2GRM1GRM2GRM8
SCHEMBL6274477 0.77 CYP1A2 (0.43) GRIK1GRIK2GRM1GRM2GRM8
SCHEMBL9499407 0.77 ALPI (0.54) CYP1A2SLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL13764585 0.77 TDP1 (0.43) TDP1SMN1; SMN2GABRR1SLC22A6LMNA
SCHEMBL5148118 0.77 TDP1 (0.43) TDP1SMN1; SMN2GABRR1SLC22A6LMNA
SCHEMBL31676717 0.77 SLC22A6 (0.39) TDP1GRIK1GRIK2GRM1GRM2

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
WO-2012010851-A1 CAPILLARY ELECTROPHORESIS OF CARBOHYDRATES CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-01-26 WO disclosed