Fumaric Acid

Fumaric Acid

SCHEMBL7270438

CCCCCCCC[C@H](N[C@@H](C)C(=O)O)C(=O)OCC.O=C(O)C=CC(=O)O

nearest known ligand 0.52

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 9)

geneUniProtsupporting neighboursconfidence
▸ ACE known ✓ P12821 4/20 0.52
▸ HCAR2 Q8TDS4 4/20 0.43
▸ NOD1 Q9Y239 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.39
▸ GPR84 Q9NQS5 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ ZDHHC7 Q9NXF8 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 SCHEMBL7270427 1.00 ACE (0.52) ACEHCAR2NOD1SMN1; SMN2FAAH
SCHEMBL7271367 0.93 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL9773222 0.93 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL7271357 0.93 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL9773243 0.93 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL9702204 0.93 ACE (0.57) ACENOD1FAAHACE2GPR84
SCHEMBL7270431 0.81 ACE (0.49) ACEHCAR2NOD1FAAHZDHHC7
SCHEMBL4650239 0.81 ACE (0.49) ACE
SCHEMBL300278 0.81 ACE (0.49) ACE
SCHEMBL13482629 0.81 ACE (0.49) ACE

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-4508727-A Antihypertensive 2-oxo-imidazolidine derivatives TANABE SEIYAKU CO., LTD. (JP) 1985-04-02 — — US disclosed
EP-0095163-A2 2-Oxo-imidazolidine compounds, a process for preparing the same and a pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1983-11-30 — — EP disclosed
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