SCHEMBL9453063

SCHEMBL9453063

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.40
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4C Q9H3R0 4/20 0.33
KDM4A O75164 3/20 0.33
TET2 Q6N021 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
TET3 O43151 1/20 0.33
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9453067 1.00 FOLH1 (0.40) FOLH1TDP1SMN1; SMN2KDM4CKDM4A
SCHEMBL9453155 0.83 TDP1 (0.37) FOLH1TDP1SMN1; SMN2SLC22A6
SCHEMBL4998502 0.80 FOLH1 (0.41) FOLH1TDP1SMN1; SMN2KDM4CKDM4A
SCHEMBL4272707 0.77 FOLH1 (0.39) FOLH1TDP1SMN1; SMN2KDM4CKDM4A
SCHEMBL6323189 0.76 TDP1 (0.48) FOLH1TDP1SMN1; SMN2KDM4CKDM4A
SCHEMBL4551242 0.76 TDP1 (0.39) FOLH1TDP1SMN1; SMN2SLC22A6
SCHEMBL8407151 0.76 TDP1 (0.39) FOLH1TDP1SMN1; SMN2SLC22A6
SCHEMBL27569962 0.75 TDP1 (0.31) TDP1SMN1; SMN2
SCHEMBL31434997 0.74 TDP1 (0.46) FOLH1TDP1SMN1; SMN2SLC22A6LMNA
SCHEMBL29650586 0.74 TDP1 (0.46) FOLH1TDP1SMN1; SMN2SLC22A6LMNA

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