SCHEMBL28329645

SCHEMBL28329645

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.46
GSR P00390 2/20 0.46
SLC1A1 P43005 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
GRIK1 P39086 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
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 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
SCHEMBL27821702 0.98 NOD1 (0.47) NOD1GSRSLC1A1GRM8GRM6
SCHEMBL28879578 0.97 NOD1 (0.49) NOD1GSRSLC1A1GRM8GRM6
SCHEMBL28892965 0.88 SLC1A1 (0.50) NOD1GSRSLC1A1GRM8GRM6
SCHEMBL27623933 0.88 GSR (0.54) NOD1GSRSLC1A1GRM8GRM6
SCHEMBL17654195 0.86 SLC1A1 (0.52) NOD1GSRSLC1A1GRM8GRM6
SCHEMBL3659197 0.86 SLC1A1 (0.52) NOD1GSRSLC1A1GRM8GRM6
SCHEMBL5495197 0.85 NOD1 (0.61) NOD1P2RY10GPR34
Ethylene Glycol SCHEMBL28837397 0.84 NOD1 (0.60) NOD1P2RY10GPR34
SCHEMBL28830121 0.84 NOD1 (0.63) NOD1P2RY10GPR34
SCHEMBL3393647 0.84 NOD1 (0.63) NOD1P2RY10GPR34

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-110478287-A It is a kind of can whitening Eradicates Huang skin lightening composition GUANGZHOU RUIXI BIOCHEMISTRY TECH CO LTD 2019-11-22 CN disclosed