Malic Acid

Malic Acid

SCHEMBL27655462

CCCN(C)C.O=C(O)CC(O)C(=O)O

nearest known ligand 0.60

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 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ GPR84 Q9NQS5 7/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ TET2 Q6N021 6/20 0.38
▸ TET3 O43151 2/20 0.38
▸ TET1 Q8NFU7 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ KDM4A O75164 2/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM2A Q9Y2K7 2/20 0.35
▸ OR51E2 Q9H255 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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 SCHEMBL5875327 0.86 SMN1; SMN2 (0.62) SMN1; SMN2GPR84FFAR1TET2TET3
Malic Acid SCHEMBL5875321 0.86 SMN1; SMN2 (0.62) SMN1; SMN2GPR84FFAR1TET2TET3
Malic Acid SCHEMBL11772086 0.85 DNM1 (0.52) SMN1; SMN2GPR84FFAR1KDM4AKDM4C
Malic Acid SCHEMBL11772074 0.85 DNM1 (0.52) SMN1; SMN2GPR84FFAR1KDM4AKDM4C
Malic Acid SCHEMBL1131217 0.84 SMN1; SMN2 (0.60) SMN1; SMN2TET2TET3TET1SLC22A6
Malic Acid SCHEMBL20394029 0.83 SMN1; SMN2 (0.79) SMN1; SMN2GPR84FFAR1TET2TET3
Malic Acid SCHEMBL5874761 0.83 SMN1; SMN2 (0.79) SMN1; SMN2GPR84TET2TET3TET1
Malic Acid SCHEMBL5874756 0.83 SMN1; SMN2 (0.79) SMN1; SMN2GPR84TET2TET3TET1
Malic Acid SCHEMBL28768725 0.80 SMN1; SMN2 (0.83) SMN1; SMN2GPR84FFAR1TET2TET3
Malic Acid SCHEMBL19878635 0.79 SMN1; SMN2 (0.54) SMN1; SMN2TET2TET3TET1KDM4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104188833-A AQUEOUS COMPOSITION SUITABLE AS SHAMPOO RHODIA OPERATIONS 2014-12-10 — — CN disclosed
CN-1853600-B Hair cleansing composition KAO CORP 2013-06-19 — — CN disclosed
CN-1823714-B Aqueous hair cleansing composition KAO CORPORATION (JP) 2011-12-21 — — CN disclosed
CN-102271650-A Aqueous composition suitable as a shampoo — 2011-12-07 — — CN disclosed
CN-1853600-A Hair cleansing composition KAO CORP (JP) 2006-11-01 — — CN disclosed
CN-1823714-A Aqueous hair cleansing composition KAO CORP (JP) 2006-08-30 — — CN disclosed
CN-1823713-A Aqueous hair cleansing composition KAO CORP (JP) 2006-08-30 — — CN disclosed
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