Fumaric Acid

Fumaric Acid

SCHEMBL9716694

CC(C)CN(CCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)CC(C)C.O=C(O)C=CC(=O)O

nearest known ligand 0.44

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 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 12/20 0.44
SLC6A4 known ✓ P31645 10/20 0.44
SLC6A3 known ✓ Q01959 6/20 0.44
CHRM2 known ✓ P08172 1/20 0.38
CHRM3 known ✓ P20309 1/20 0.38
BCL2 P10415 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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 SCHEMBL9716688 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Maleic Acid SCHEMBL9716806 0.96 BCL2 (0.46) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Fumaric Acid SCHEMBL9716813 0.96 BCL2 (0.46) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Fumaric Acid SCHEMBL9716767 0.89 BCL2 (0.42) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Maleic Acid SCHEMBL9716757 0.89 BCL2 (0.42) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Maleic Acid SCHEMBL9716787 0.89 SIGMAR1 (0.52) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Fumaric Acid SCHEMBL9716792 0.89 SIGMAR1 (0.52) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Maleic Acid SCHEMBL9716697 0.88 BCL2 (0.57) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Fumaric Acid SCHEMBL9716708 0.88 BCL2 (0.57) SLC6A2SLC6A4SLC6A3BCL2SIGMAR1
Fumaric Acid SCHEMBL9716794 0.86 THRB (0.42) SLC6A2SLC6A4BCL2SIGMAR1

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