SCHEMBL8658482

SCHEMBL8658482

C=CCN(C)C(=O)CC[C@@H](N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.46
GRIK2 Q13002 3/20 0.46
GSR P00390 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL19221477 0.83 GRIK1 (0.42) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL21244095 0.78 GRIK1 (0.47) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL1768348 0.77 GRM8 (0.55) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL1768346 0.77 GRM8 (0.55) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL197385 0.76 GSR (0.58) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL1768449 0.76 GSR (0.58) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL1769463 0.76 GSR (0.48) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL1769457 0.76 GSR (0.48) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL3196567 0.74 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL22598251 0.74 GLO1 (0.58) GRIK1GRIK2GSRGRM8GRM6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710332-A N-ALKYL-N-METHYLGLYCAMINE N-OXIDE AND PREPARATION ALBRIGHT & WILSON LIMITED (GB) 1998-01-20 US disclosed
EP-0569904-B1 Process for the preparation of carbohydrate derived surfactants and their precursors ALBRIGHT & WILSON UK LTD (GB) 1997-04-02 EP disclosed
US-5523478-A Carbohydrate-derived surfactants and their precursors ALBRIGHT & WILSON LIMITED (GB) 1996-06-04 US disclosed
EP-0569904-A2 Process for the preparation of carbohydrate derived surfactants and their precursors ALBRIGHT & WILSON UK LIMITED (GB) 1993-11-18 EP disclosed