Malic Acid

Malic Acid

SCHEMBL20523331

Cl.Cl.O=C(O)CC(O)C(=O)O.O=S(=O)(O)O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

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 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.75
TET2 Q6N021 6/20 0.44
TET3 O43151 2/20 0.44
TET1 Q8NFU7 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
KDM4A O75164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
OR51E2 Q9H255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRR1 P24046 2/20 0.37
LMNA P02545 1/20 0.37
KMO O15229 1/20 0.36

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 0.97 SMN1; SMN2 (0.79) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL27351503 0.95 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL27351502 0.95 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL27393374 0.95 SMN1; SMN2 (0.75) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL7783136 0.89 SMN1; SMN2 (0.94) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL5365144 0.89 SMN1; SMN2 (0.94) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL3499977 0.88 SMN1; SMN2 (0.71) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL9478094 0.87 SMN1; SMN2 (0.88) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL6264226 0.87 SMN1; SMN2 (0.88) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL2179596 0.87 SMN1; SMN2 (0.88) SMN1; SMN2TET2TET3TET1SLC22A6

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
WO-2018183367-A1 METHODS OF TREATING CYSTIC FIBROSIS IN PATIENTS WITH RESIDUAL FUNCTION MUTATIONS VAN GOOR FREDRICK F (US) 2018-10-04 WO disclosed