Malic Acid

Malic Acid

SCHEMBL2403409

CCN(CC)CCN.CCN(CC)CCN.O=C(O)CC(O)C(=O)O

nearest known ligand 0.54

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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 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1C known ✓ Q13936 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GABRR1 P24046 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TET2 Q6N021 6/20 0.34
▸ TET3 O43151 2/20 0.34
▸ TET1 Q8NFU7 1/20 0.34
▸ GPR84 Q9NQS5 3/20 0.32
▸ KDM4A O75164 2/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM2A Q9Y2K7 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ CACNA2D1 P54289 2/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CACNA2D2 Q9NY47 1/20 0.32
▸ KDR P35968 2/20 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 SCHEMBL2403413 1.00 SMN1; SMN2 (0.54) SMN1; SMN2GABRR1LMNATET2TET3
Malic Acid SCHEMBL5874335 0.85 SMN1; SMN2 (0.68) SMN1; SMN2TET2TET3TET1GPR84
Malic Acid SCHEMBL218467 0.85 SMN1; SMN2 (0.68) SMN1; SMN2TET2TET3TET1GPR84
Lactic Acid SCHEMBL23361751 0.81 TP53 (0.46) SMN1; SMN2GABRR1LMNA
Malic Acid SCHEMBL21145183 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GABRR1LMNATET2TET3
Malic Acid SCHEMBL2553128 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GABRR1LMNATET2TET3
Malic Acid SCHEMBL2558660 0.80 SMN1; SMN2 (0.75) SMN1; SMN2GABRR1LMNATET2TET3
Malic Acid SCHEMBL2558655 0.80 SMN1; SMN2 (0.75) SMN1; SMN2GABRR1LMNATET2TET3
Malic Acid SCHEMBL4639678 0.79 SMN1; SMN2 (0.54) SMN1; SMN2GABRR1LMNATET2TET3
Malic Acid SCHEMBL786884 0.78 SMN1; SMN2 (0.79) SMN1; SMN2GABRR1LMNATET2TET3

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
WO-2011128699-A2 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2011-10-20 — — WO disclosed
WO-2011104555-A2 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2011-09-01 — — WO disclosed
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