Malic Acid

Malic Acid

SCHEMBL4570540

Nc1ccc(O)c(O)c1.Nc1ccc(O)c(O)c1.O=C(O)CC(O)C(=O)O.O=C(O)CC(O)C(=O)O

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 7/20 0.44
TDP1 Q9NUW8 6/20 0.44
HSD17B10 Q99714 5/20 0.44
MAPT P10636 4/20 0.44
HIF1A Q16665 4/20 0.44
RECQL P46063 3/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
PTGS2 P35354 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 1/20 0.44
HSPD1 P10809 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP1 P29466 1/20 0.44

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 SCHEMBL174846 1.00 KDM6B (0.51) KDM6BSMN1; SMN2KDM4ETDP1HSD17B10
SCHEMBL4570541 0.83 KDM6B (0.39) KDM6BSMN1; SMN2KDM4ETDP1HSD17B10
Dopamine SCHEMBL28740409 0.81 KDM4E (0.62) KDM6BSMN1; SMN2KDM4ETDP1HSD17B10
Succinic Acid SCHEMBL175593 0.78 KDM4E (0.53) SMN1; SMN2KDM4ETDP1HSD17B10MAPT
Malic Acid SCHEMBL21145140 0.77 SMN1; SMN2 (0.60) SMN1; SMN2TDP1CYP2C19LMNAPOLB
Malic Acid SCHEMBL21145138 0.77 SMN1; SMN2 (0.60) SMN1; SMN2TDP1CYP2C19LMNAPOLB
Propionic Acid SCHEMBL13730113 0.77 KDM4E (0.52) SMN1; SMN2KDM4ETDP1HSD17B10MAPT
Malic Acid SCHEMBL27754520 0.76 SMN1; SMN2 (0.54) SMN1; SMN2TDP1HSD17B10CYP3A4MEN1
Malic Acid SCHEMBL28829049 0.74 SMN1; SMN2 (0.68) KDM6BSMN1; SMN2SLC7A5KMO
Acetic Acid SCHEMBL27477102 0.74 KDM4E (0.57) SMN1; SMN2KDM4ETDP1HSD17B10MAPT

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-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO disclosed
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO disclosed