Malic Acid

Malic Acid

SCHEMBL5456657

C=CCC(O)C(=C)C(=O)O.C=CCl.C=COC(C)=O.O=C(O)CC(O)C(=O)O

nearest known ligand 0.38

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 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TET2 Q6N021 3/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 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
Vinyl Chloride SCHEMBL5447669 0.91
Malic Acid SCHEMBL8777956 0.87 SMN1; SMN2 (0.50) SMN1; SMN2TET2TET3TET1
Malic Acid SCHEMBL28842768 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TET2TET3TET1
Malic Acid SCHEMBL6419336 0.82 SMN1; SMN2 (0.56) SMN1; SMN2TET2TET3TET1
Vinyl Chloride SCHEMBL4029780 0.78 CYP2C19 (0.36) TET2TET3TET1
Methacrylic Acid SCHEMBL11132733 0.73 CYP2C19 (0.35) TET2TET3TET1
SCHEMBL902141 0.72 CYP2C19 (0.39) TET2TET3TET1
SCHEMBL31199 0.72 CYP2C19 (0.39) TET2TET3TET1
Methacrylic Acid SCHEMBL8143125 0.69 HSD17B10 (0.32)
Vinyl Chloride SCHEMBL28801339 0.69 HSD17B10 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208237-B2 Magnetic recording medium TDK CORPORATION (JP) 2007-04-24 US disclosed
US-7157163-B2 Magnetic recording medium TDK CORPORATION (JP) 2007-01-02 US disclosed
US-7011900-B2 Magnetic recording medium TDK CORPORATION (JP) 2006-03-14 US disclosed
US-20040209121-A1 Magnetic recording medium TDK CORPORATION (JP) 2004-10-21 US disclosed
US-20040207955-A1 Magnetic recording medium TDK CORPORATION (JP) 2004-10-21 US disclosed
US-20040197605-A1 Magnetic recording medium TDK CORPORATION (JP) 2004-10-07 US disclosed