SCHEMBL29094232

SCHEMBL29094232

N[C@@H](CCC(=O)OC(C(=O)O)C(=O)O)C(=O)O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.54
GSR P00390 2/20 0.54
GRM8 O00222 2/20 0.54
GRM6 O15303 2/20 0.54
GRM7 Q14831 2/20 0.54
GRM4 Q14833 2/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
CYP1A2 P05177 1/20 0.54
GRIK1 P39086 1/20 0.54
GRM5 P41594 1/20 0.54
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA3 P42263 1/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
GRIA4 P48058 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIK2 Q13002 1/20 0.54

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
SCHEMBL148075 1.00 SLC1A1 (0.54) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL404449 1.00 SLC1A1 (0.54) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL28381583 0.98 SLC1A1 (0.52) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL710038 0.98 SLC1A1 (0.56) SLC1A1GSRGRM8GRM6GRM7
Ammonia Solution, Strong SCHEMBL29126346 0.96 SLC1A1 (0.54) SLC1A1GSRGRM8GRM6GRM7
Ammonia Solution, Strong SCHEMBL28196753 0.94 SLC1A1 (0.52) SLC1A1GSRGRM8GRM6GRM7
Ammonia Solution, Strong SCHEMBL28145960 0.94 SLC1A1 (0.52) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL28138215 0.89 SLC1A1 (0.41) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL710039 0.86 SLC1A1 (0.42) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL4904802 0.86 SLC1A1 (0.42) SLC1A1GSRGRM8GRM6GRM7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116782867-A Cosmetic material 株式会社资生堂 2023-09-19 CN claimed
CN-116782867-A Cosmetic material 株式会社资生堂 2023-09-19 CN disclosed