Fumaric Acid

Fumaric Acid

SCHEMBL9506530

CCCN(CCOc1ccccc1OC)CCC1=CC=C(OC(=O)C(C)C)C(O)(C(=O)C(C)C)C1.O=C(O)C=CC(=O)O

nearest known ligand 0.39

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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 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
EBP Q15125 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPBWR1 P48145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL9504595 0.95 SIGMAR1 (0.36) SIGMAR1EBPTMEM97ALDH1A1NPBWR1
Maleic Acid SCHEMBL9506523 0.76 SIGMAR1 (0.56) SIGMAR1EBPTMEM97
SCHEMBL9504591 0.70 SIGMAR1 (0.59) SIGMAR1EBPTMEM97
SCHEMBL9503527 0.69 BCHE (0.40) ALDH1A1SMN1; SMN2
SCHEMBL9503329 0.65 KDM4E (0.36) ALDH1A1NPBWR1SMN1; SMN2MCHR1
Hydrochloric Acid SCHEMBL30961584 0.65 ALDH1A1 (0.59) SIGMAR1EBPTMEM97ALDH1A1
SCHEMBL9505422 0.64 BCHE (0.36)
SCHEMBL9503554 0.61 NPC1 (0.35) SMN1; SMN2
SCHEMBL9504487 0.59 ADRA1D (0.74) SIGMAR1EBPTMEM97
Hydrochloric Acid SCHEMBL9505511 0.59 ADRA1D (0.73) SIGMAR1EBPTMEM97

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
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed