SCHEMBL29192552

SCHEMBL29192552

C=CCN(C(=O)CCC(N)C(=O)O)C(CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.40
GRIK2 Q13002 3/20 0.40
GSR P00390 2/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL1157951 0.77 GRIK1 (0.37) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL28782195 0.77 GSR (0.48) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL16568702 0.77 GSR (0.48) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL9410679 0.76 ALDH1A1 (0.31) PTGS1SLC7A11ALDH1A1
SCHEMBL9410676 0.76 ALDH1A1 (0.31) PTGS1SLC7A11ALDH1A1
SCHEMBL8752967 0.76 ALDH1A1 (0.31) PTGS1SLC7A11ALDH1A1
SCHEMBL7141008 0.75 CPN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23716476 0.74 GRIK1 (0.46) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL17079901 0.74 GRIK1 (0.46) GRIK1GRIK2GSRGRM8GRM6
SCHEMBL8658482 0.74 GRIK1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881292-A Method for producing beverage having mellow flavor 三得利控股株式会社 2024-04-12 CN disclosed