SCHEMBL9453086

SCHEMBL9453086

O=C(O)C[C@@H](C(=O)O)N(O)CC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
OR51E2 Q9H255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL9453092 1.00 SLC22A6 (0.39) SLC22A6SMN1; SMN2GABRR1LMNAOR51E2
SCHEMBL7777306 0.82 SLC22A6 (0.41) SLC22A6SMN1; SMN2GABRR1LMNAOR51E2
SCHEMBL6010252 0.74 GSR (0.42) USP2SLCO1B1
SCHEMBL6010254 0.74 GSR (0.42) USP2SLCO1B1
SCHEMBL9453155 0.74 TDP1 (0.37) SLC22A6SMN1; SMN2TDP1
SCHEMBL4551242 0.71 TDP1 (0.39) SLC22A6SMN1; SMN2TDP1MAPT
SCHEMBL8407151 0.71 TDP1 (0.39) SLC22A6SMN1; SMN2TDP1MAPT
SCHEMBL6010163 0.71 OR51E2 (0.39) SLC22A6GABRR1LMNAOR51E2USP2
SCHEMBL6010151 0.71 OR51E2 (0.39) SLC22A6GABRR1LMNAOR51E2USP2
SCHEMBL9453067 0.69 FOLH1 (0.40) SLC22A6SMN1; SMN2LMNATDP1

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
US-5183590-A Mixing aminohydroxysuccinic acid compound with aqueous solution to prevent corrosion of ferrous metals W. R. GRACE & CO.-CONN. (US) 1993-02-02 US claimed