Fumaric Acid

Fumaric Acid

SCHEMBL9228751

COc1c(C(=O)NCCNC2CCCCCC2)cc(N(C)C)c2ccccc12.O=C(O)C=CC(=O)O

nearest known ligand 0.45

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 6)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 2/20 0.42
DRD3 P35462 3/20 0.45
SIGMAR1 Q99720 16/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
DRD4 P21917 1/20 0.42

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 SCHEMBL9227118 1.00 DRD3 (0.45) DRD3SIGMAR1CNR1CNR2DRD2
Fumaric Acid SCHEMBL9227125 1.00 DRD3 (0.45) DRD3SIGMAR1CNR1CNR2DRD2
Maleic Acid SCHEMBL9228744 1.00 DRD3 (0.45) DRD3SIGMAR1CNR1CNR2DRD2
Maleic Acid SCHEMBL8966538 0.85 DRD3 (0.45) DRD3SIGMAR1CNR1CNR2DRD2
Maleic Acid SCHEMBL8968082 0.85 DRD3 (0.45) DRD3SIGMAR1CNR1CNR2DRD2
SCHEMBL8967338 0.81 DRD3 (0.59) DRD3SIGMAR1DRD2DRD4
SCHEMBL8967226 0.81 SIGMAR1 (0.66) DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9229456 0.81 SIGMAR1 (0.52) DRD3SIGMAR1DRD2
SCHEMBL8966528 0.81 SIGMAR1 (0.50) DRD3SIGMAR1CNR1CNR2
Hydrochloric Acid SCHEMBL9223939 0.81 SIGMAR1 (0.52) DRD3SIGMAR1DRD2

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-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed