Fumaric Acid

Fumaric Acid

SCHEMBL9411331

CN(C)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.73

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
ACHE P22303 20/20 0.73
BCHE P06276 4/20 0.73

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
Fumaric Acid SCHEMBL9411338 1.00 ACHE (0.73) ACHEBCHE
SCHEMBL9411642 0.93 ACHE (0.73) ACHEBCHE
SCHEMBL4503523 0.88 ACHE (0.71) ACHEBCHE
Maleic Acid SCHEMBL6990290 0.87 ACHE (0.85) ACHEBCHE
Fumaric Acid SCHEMBL9411615 0.87 ACHE (0.74) ACHEBCHE
Maleic Acid SCHEMBL6989248 0.87 ACHE (0.85) ACHEBCHE
Fumaric Acid SCHEMBL6990295 0.87 ACHE (0.85) ACHEBCHE
Fumaric Acid SCHEMBL6989253 0.87 ACHE (0.85) ACHEBCHE
Maleic Acid SCHEMBL9411612 0.87 ACHE (0.74) ACHEBCHE
Fumaric Acid SCHEMBL6986323 0.86 ACHE (0.84) ACHEBCHE

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
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed