SCHEMBL28980587

SCHEMBL28980587

N[C@@H](CC(=O)O)C(=O)OCC(=O)O.[Cu]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRM1 Q13255 2/20 0.33
GRM2 Q14416 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL2100344 0.98 TSHR (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL560411 0.84 PAM (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL2100343 0.84 PAM (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL30338047 0.81 SLC22A6 (0.38) SLC22A6GABRR1LMNAGRIK1GRIK2
SCHEMBL25491154 0.81 SLC22A6 (0.38) SLC22A6GABRR1LMNAGRIK1GRIK2
SCHEMBL28980591 0.81 TSHR (0.34) TSHRCTHCBSTHPOTHRB
Hydrochloric Acid SCHEMBL25204388 0.79 SLC22A6 (0.36) THRBSLC22A6GABRR1LMNAGRIK1
SCHEMBL27633938 0.79 TSHR (0.40) TSHRCTHCBSTHPOTHRB
Hydrochloric Acid SCHEMBL25204383 0.79 SLC22A6 (0.36) THRBSLC22A6GABRR1LMNAGRIK1
Hydrochloric Acid SCHEMBL30385470 0.79 SLC22A6 (0.36) THRBSLC22A6GABRR1LMNAGRIK1

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-115884981-A Polypeptide cleavage method ABSCI公司 2023-03-31 CN disclosed