Malic Acid

Malic Acid

SCHEMBL29048431

N.N.O=C(O)CC(O)C(=O)O.O=S(=O)(O)OOS(=O)(=O)O

nearest known ligand 0.62

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Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Malic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TET2 Q6N021 6/20 0.39
TET3 O43151 2/20 0.39
TET1 Q8NFU7 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
OR51E2 Q9H255 1/20 0.36
KMO O15229 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 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
Malic Acid SCHEMBL11130777 0.84 SMN1; SMN2 (0.79) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL27351502 0.82 SMN1; SMN2 (0.75) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL27351503 0.82 SMN1; SMN2 (0.75) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL20523331 0.82 SMN1; SMN2 (0.75) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL27393374 0.82 SMN1; SMN2 (0.75) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL20366118 0.82 SMN1; SMN2 (0.94) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL631100 0.82 SMN1; SMN2 (0.94) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL20366119 0.82 SMN1; SMN2 (0.94) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL631099 0.82 SMN1; SMN2 (0.94) SMN1; SMN2TDP1TET2TET3TET1
Malic Acid SCHEMBL3499977 0.80 SMN1; SMN2 (0.71) SMN1; SMN2TDP1TET2TET3TET1

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-115181332-B Preparation and application of bi-component core-shell structure particle BT@PANI-ferroferric oxide 兰州理工大学 2023-08-11 CN claimed