Malic Acid

Malic Acid

SCHEMBL8063579

N.O=C([O-])CC(O)C(=O)[O-].[Ca+2]

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SCSF1RDRD2FLT1FLT3FLT4HTR1BHTR1DHTR1FKDRKITMETOPRD1OPRK1OPRM1PDGFRAPDGFRBRET

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 9)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.89
CTSL P07711 1/20 0.44
CA2 P00918 1/20 0.42
SLC22A16 Q86VW1 1/20 0.41
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CASP1 P29466 1/20 0.30
LMNA P02545 1/20 0.30

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 SCHEMBL30666401 0.97 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL121114 0.97 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL672694 0.97 CA4 (0.94) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL10768485 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL5676981 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL29152424 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL11056334 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL7651730 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL29152416 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2
Malic Acid SCHEMBL2891377 0.94 CA4 (0.89) CA4CTSLCA2SLC22A16CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664324-B2 COATING MATERIAL COMPOSITION YUHO CHEMICALS INC (JP) 2000-06-28 EP disclosed
US-5912298-A POLYURETHANES, CALCIUM COMPOUNDS FOR CROSSLINKING YUHO CHEMICALS, INC. (JP) 1999-06-15 US disclosed
US-5541265-A FLOOR POLISHES PREPARED BY CROSSLINKING ACRYLIC EMULSION WITH CALCIUM COMPOUND YUHO CHEMICALS, INC. (JP) 1996-07-30 US disclosed
EP-0664324-A1 COATING MATERIAL COMPOSITION YUHO CHEMICALS INC. (JP) 1995-07-26 EP disclosed