Fumaric Acid

Fumaric Acid

SCHEMBL7687490

CN(CC1CC1COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.88

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 1)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 0.88

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
SCHEMBL17358775 0.94 LSS (1.00) LSS
SCHEMBL7687794 0.94 LSS (1.00) LSS
Hydrochloric Acid SCHEMBL7687467 0.93 LSS (0.98) LSS
Fumaric Acid SCHEMBL7685407 0.88 LSS (0.90) LSS
Fumaric Acid SCHEMBL7686116 0.87 LSS (0.68) LSS
Fumaric Acid SCHEMBL7686118 0.87 LSS (0.68) LSS
Fumaric Acid SCHEMBL7681717 0.87 LSS (0.66) LSS
Fumaric Acid SCHEMBL7681711 0.87 LSS (0.66) LSS
Fumaric Acid SCHEMBL7686204 0.86 LSS (0.65) LSS
SCHEMBL17358774 0.81 LSS (1.00) LSS

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-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed