Fumaric Acid

Fumaric Acid

SCHEMBL4926346

CC[N+](C)(CC)CC.O=C([O-])C=CC(=O)[O-].[K+]

nearest known ligand 0.50

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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 9)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.48
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CA4 P22748 1/20 0.30

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 SCHEMBL4929187 1.00 BBOX1 (0.48) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL4926333 1.00 BBOX1 (0.48) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL2451022 0.97 BBOX1 (0.50) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL4953861 0.97 BBOX1 (0.50) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL2451026 0.97 BBOX1 (0.50) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL2457500 0.95 BBOX1 (0.48) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL4929245 0.91 BBOX1 (0.45) BBOX1CA1CA9
Fumaric Acid SCHEMBL2457505 0.91 BBOX1 (0.45) BBOX1CA1CA9
Fumaric Acid SCHEMBL2457508 0.91 BBOX1 (0.45) BBOX1CA1CA9
Fumaric Acid SCHEMBL4917936 0.84 BBOX1 (0.58) BBOX1CA1CA9FFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US claimed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP claimed
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US disclosed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP disclosed