Fumaric Acid

Fumaric Acid

SCHEMBL9346296

CCc1coc(C2CN3CCC2CC3)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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
CHRM2 known ✓ P08172 1/20 0.34
CHRNA7 P36544 1/20 0.41

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
SCHEMBL9341869 0.89 CHRM2 (0.41) CHRM2
Fumaric Acid SCHEMBL9342821 0.72 CHRNA7 (0.37) CHRNA7CHRM2
SCHEMBL9342013 0.71 CHRM2 (0.48) CHRM2
Hydrochloric Acid SCHEMBL9342153 0.70 CHRM2 (0.47) CHRM2
Oxalic Acid SCHEMBL9724653 0.68 CHRM2 (0.49) CHRM2
Maleic Acid SCHEMBL194353 0.65 CHRNA7 (0.39) CHRNA7
Maleic Acid SCHEMBL29496245 0.65 CHRNA7 (0.39) CHRNA7
Maleic Acid SCHEMBL9854125 0.65 CHRNA7 (0.39) CHRNA7
Fumaric Acid SCHEMBL7825260 0.64 CHRM2 (0.53) CHRM2
Fumaric Acid SCHEMBL7825256 0.64 CHRM2 (0.53) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324723-A Analgesics MERCK SHARPE & DOHME LTD. 1994-06-28 US disclosed
EP-0307141-B1 OXAZOLES AND THIAZOLES FOR THE TREATMENT OF SENILE DEMENTIA MERCK SHARP & DOHME LTD. (GB) 1993-01-13 EP disclosed
EP-0307141-A2 Oxazoles and thiazoles for the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-03-15 EP disclosed