Fumaric Acid

Fumaric Acid

SCHEMBL8569153

O=C(O)C=CC(=O)O.c1ccc(CC2CCN(Cc3ccc[nH]3)CC2)cc1

nearest known ligand 0.55

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 12)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.48
KMT2A known ✓ Q03164 2/20 0.48
CCR3 P51677 2/20 0.55
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47

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 SCHEMBL8569150 1.00 CCR3 (0.55) CCR3GAAKDM4EATMSMN1; SMN2
SCHEMBL8570573 0.90 CCR3 (0.67) CCR3GAAKDM4EATMALDH1A1
Fumaric Acid SCHEMBL9253095 0.75 CCR3 (0.60) CCR3GAAKDM4ESMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL9253101 0.75 CCR3 (0.60) CCR3GAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5778870 0.75 ATM (0.61) CCR3GAAKDM4EATMALDH1A1
Maleic Acid SCHEMBL7474095 0.74 DRD4 (0.58) CCR3GAAKDM4ESMN1; SMN2ALDH1A1
Pyrrole SCHEMBL8569144 0.74 CCR3 (0.47) CCR3GAAKDM4ESMN1; SMN2ALDH1A1
Fumaric Acid SCHEMBL7474099 0.74 DRD4 (0.58) CCR3GAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2004615 0.73 CCR3 (1.00) CCR3GAAKDM4EATMALDH1A1
SCHEMBL13375731 0.72 DRD2 (0.53) CCR3ATM

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-5760234-A THERAPY FOR NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION (US) 1998-06-02 US claimed