SCHEMBL6588930

SCHEMBL6588930

C=COC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GSR P00390 1/20 0.52
CYP1A2 P05177 1/20 0.52
GRIK1 P39086 1/20 0.52
GRM5 P41594 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
GRIN2B Q13224 1/20 0.52

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
SCHEMBL6588925 1.00 GRM8 (0.52) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL11655301 0.85 BLM (0.34) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL5089985 0.85 BLM (0.34) GRM8GRM6GRIN2DGRIN3BGSR
Acetic Acid SCHEMBL28783576 0.82 SLC1A1 (0.35) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL3734634 0.81 BLM (0.32) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL30707742 0.81 GRM8 (0.52) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL6593191 0.80 SLC6A2 (0.36) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL6593189 0.80 SLC6A2 (0.36) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL2518196 0.79 CYP2D6 (0.50) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL176230 0.79 CYP2D6 (0.50) GRM8GRM6GRIN2DGRIN3BGSR

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-20040208883-A1 Method for preparing ester linked peptide-carbohydrate conjugates ISIS INNOVATION LIMITED (GB) 2004-10-21 US disclosed
EP-1414988-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2004-05-06 EP disclosed
WO-2003014371-A1 METHOD FOR PREPARING ESTER LINKED PEPTIDE-CARBOHYDRATE CONJUGATES ISIS INNOVATION LIMITED (GB) 2003-02-20 WO disclosed
US-4107156-A Process for preparing gel polymer of vinyl compound and gel polymer thereof MITSUBISHI RAYON CO., LTD. (JP) 1978-08-15 US disclosed