Fumaric Acid

Fumaric Acid

SCHEMBL9716852

Cc1ccc(C(O)(CCCN(CC(C)C)CC(C)C)c2ccccc2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 3/20 0.45
CHRM3 known ✓ P20309 3/20 0.45
MEN1 known ✓ O00255 2/20 0.39
KMT2A known ✓ Q03164 2/20 0.39
SLC6A2 known ✓ P23975 3/20 0.38
SLC6A4 known ✓ P31645 3/20 0.38
SLC6A3 known ✓ Q01959 1/20 0.38
BCL2 P10415 5/20 0.47
SIGMAR1 Q99720 1/20 0.47
CHRM4 P08173 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM1 P11229 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
KIF11 P52732 4/20 0.41

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
Maleic Acid SCHEMBL9716839 1.00 BCL2 (0.47) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716757 0.96 BCL2 (0.42) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716767 0.96 BCL2 (0.42) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716787 0.94 SIGMAR1 (0.52) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716792 0.94 SIGMAR1 (0.52) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716806 0.90 BCL2 (0.46) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716813 0.90 BCL2 (0.46) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716886 0.90 BCL2 (0.62) BCL2SIGMAR1CHRM2CHRM4CHRM5
Maleic Acid SCHEMBL9716880 0.90 BCL2 (0.62) BCL2SIGMAR1CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL9716769 0.88 BCL2 (0.45) BCL2SIGMAR1CHRM2CHRM4CHRM5

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
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US claimed
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US disclosed