Fumaric Acid

Fumaric Acid

SCHEMBL9795374

NCC(=O)NCCC1CCCCC1O[N+](=O)[O-].O=C(O)C=CC(=O)O

nearest known ligand 0.38

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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 2)

geneUniProtsupporting neighboursconfidence
GSR P00390 3/20 0.38
BCHE P06276 5/20 0.33

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
Fumaric Acid SCHEMBL9795361 0.88 GSR (0.39) GSRBCHE
Fumaric Acid SCHEMBL9795273 0.84 GSR (0.38) GSRBCHE
Fumaric Acid SCHEMBL9795229 0.83 GSR (0.35) GSRBCHE
Fumaric Acid SCHEMBL9795206 0.78 GSR (0.41) GSRBCHE
SCHEMBL9795366 0.75 GSR (0.36) GSRBCHE
Fumaric Acid SCHEMBL9795493 0.74 GSR (0.35) GSRBCHE
Fumaric Acid SCHEMBL9795349 0.74 GSR (0.37) GSRBCHE
Fumaric Acid SCHEMBL9795498 0.71 TDP1 (0.35)
Fumaric Acid SCHEMBL9795102 0.70 MEN1 (0.38)
SCHEMBL9795334 0.69 GSR (0.47) GSRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed