SCHEMBL2353656

SCHEMBL2353656

CN(C(=O)O)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 2/20 0.33
MAPT P10636 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL10802747 1.00 TDP1 (0.40) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL29974453 0.84 TDP1 (0.39) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL28531439 0.82 ECE1 (0.32)
SCHEMBL7536347 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL6006627 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL196267 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL19741547 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL196268 0.80 TDP1 (0.43) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL2186107 0.78 TDP1 (0.42) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL8968540 0.78 TDP1 (0.42) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1

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
US-4687557-A MIXTURE OF CYANIDE COMPLEXES OF GOLD, COPPER, CADMIUM, AND ZINC EMMENEGGER HEINZ (CH) 1987-08-18 US claimed
EP-2356141-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-08-17 EP disclosed