SCHEMBL6593189

SCHEMBL6593189

C=COC(=O)C(N)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
BLM P54132 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK1 P39086 5/20 0.33
GRIK2 Q13002 5/20 0.33
GRM1 Q13255 2/20 0.33
GRM2 Q14416 2/20 0.33
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31

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
SCHEMBL6593191 1.00 SLC6A2 (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5088902 0.83 TDP1 (0.33) TDP1
SCHEMBL30874220 0.81 GABRR1 (0.38) GRIK1GRIK2GRM1GRM2GABRR1
SCHEMBL6588925 0.80 GRM8 (0.52) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL6588930 0.80 GRM8 (0.52) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL8375089 0.78
SCHEMBL5011211 0.78
SCHEMBL1023366 0.78 MAPT (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL6532116 0.78 MAPT (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL2017864 0.77 SMN1; SMN2 (0.46) GABRR1LMNASLC22A6TDP1SMN1; SMN2

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 3 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