Malic Acid

Malic Acid

SCHEMBL7745105

CC(=O)CC(C)=O.O=C(O)CC(O)C(=O)O.Oc1ccccc1O

nearest known ligand 0.50

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 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM6B O15054 1/20 0.40
MAPT P10636 1/20 0.39
AKR1B1 P15121 1/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
FFAR1 O14842 1/20 0.37
KMO O15229 1/20 0.37
LTA4H P09960 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPRA P18433 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
Catechol SCHEMBL21296992 0.80 KDM4E (0.53) SMN1; SMN2MAPTAKR1B1CYP2D6CYP2C19
SCHEMBL7745106 0.79 GAA (0.37) SMN1; SMN2MAPT
Malic Acid SCHEMBL25410916 0.78 AKR1B1 (0.69) SMN1; SMN2MAPTAKR1B1CPA1CPB1
Salicylic Acid SCHEMBL10391921 0.78 ALDH1A1 (0.62) SMN1; SMN2MAPTAKR1B1CPA1
Salicylic Acid SCHEMBL27541069 0.77 ALDH1A1 (0.51) SMN1; SMN2MAPTCYP2D6
Diphenylamine SCHEMBL21145301 0.77 SMN1; SMN2 (0.60) SMN1; SMN2MAPTCPA1CPB1CPA3
Diphenylamine SCHEMBL21145303 0.77 SMN1; SMN2 (0.60) SMN1; SMN2MAPTCPA1CPB1CPA3
Salicylic Acid SCHEMBL15441407 0.77 ALDH1A1 (0.60) SMN1; SMN2MAPTAKR1B1CPA1
Naphthalene SCHEMBL2936422 0.76 SMN1; SMN2 (0.65) SMN1; SMN2CPA1CPB1CPA3CPB2
Malic Acid SCHEMBL27794963 0.75 SMN1; SMN2 (0.88) SMN1; SMN2KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062682-A4 SELECTIVE SILICON OXIDE ETCHANT FORMULATION INCLUDING FLUORIDE SALT, CHELATING AGENT AND GLYCOL SOLVENT ADVANCED TECH MATERIALS (US) 2001-07-04 EP claimed
EP-1062682-A1 SELECTIVE SILICON OXIDE ETCHANT FORMULATION INCLUDING FLUORIDE SALT, CHELATING AGENT AND GLYCOL SOLVENT ADVANCED CHEMICAL SYSTEMS INTERNATIONAL CORPORATION (US) 2000-12-27 EP claimed
WO-1999033094-A1 SELECTIVE SILICON OXIDE ETCHANT FORMULATION INCLUDING FLUORIDE SALT, CHELATING AGENT AND GLYCOL SOLVENT ADVANCED CHEMICAL SYSTEMS INTERNATIONAL INC. (US) 1999-07-01 WO claimed