Fumaric Acid

Fumaric Acid

SCHEMBL9865899

Cc1ccc(N2N=C3c4cc(OCCCN(C)C)ccc4CCC3CC2=O)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.36
KMT2A known ✓ Q03164 1/20 0.36
HRH3 known ✓ Q9Y5N1 2/20 0.35
ACHE P22303 1/20 0.38
MAPK14 Q16539 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
LCK P06239 1/20 0.34
BRD4 O60885 1/20 0.34
LSS P48449 1/20 0.33
CACNA1B Q00975 1/20 0.33

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 SCHEMBL9865891 1.00 ACHE (0.38) ACHEMAPK14L3MBTL1POLBPPARD
SCHEMBL9879719 0.90 ACHE (0.43) ACHEMAPK14MEN1KMT2AHRH3
Fumaric Acid SCHEMBL9868348 0.87 L3MBTL1 (0.37) ACHEMAPK14L3MBTL1POLBMEN1
Fumaric Acid SCHEMBL9601552 0.87 L3MBTL1 (0.37) ACHEMAPK14L3MBTL1POLBMEN1
SCHEMBL9601499 0.83 ACHE (0.41) ACHEMAPK14MAPTHRH3LSS
SCHEMBL10445027 0.82 ACHE (0.35) ACHEMAPK14PPARDPPARAHRH3
Maleic Acid SCHEMBL9602897 0.82 HRH3 (0.44) ACHEMAPK14POLBMAPTHRH3
Fumaric Acid SCHEMBL9602903 0.82 HRH3 (0.44) ACHEMAPK14POLBMAPTHRH3
SCHEMBL9865917 0.79 MAOA (0.34) ACHEMEN1GAAKMT2AHRH3
SCHEMBL9867304 0.79 MAOA (0.35) ACHEMEN1GAAKMT2AHRH3

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed