Fumaric Acid

Fumaric Acid

SCHEMBL7738495

CCC(c1ccccc1)c1ccccc1.O=C(O)C=CC(=O)O

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.44
KMT2A known ✓ Q03164 1/20 0.44
HTR2A known ✓ P28223 1/20 0.43
HRH1 known ✓ P35367 1/20 0.43
HCAR2 Q8TDS4 3/20 0.53
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
Bicarbonate SCHEMBL11212986 0.87 LMNA (0.56) LMNAPOLBMEN1KMT2AHTR2A
Bicarbonate SCHEMBL7184926 0.87 LMNA (0.56) LMNAPOLBMEN1KMT2AHTR2A
Oxalic Acid SCHEMBL9317952 0.85 LMNA (0.54) LMNAPOLBMEN1KMT2AHTR2A
Phenylpropanol SCHEMBL29031682 0.84 LMNA (0.73) HCAR2LMNAALDH1A1KDM4ECYP2C19
Fumaric Acid SCHEMBL8669348 0.84 ESR1 (0.50) HCAR2LMNAALDH1A1KDM4ECYP2C19
Fumaric Acid SCHEMBL8867077 0.83 SLC6A2 (0.47) LMNAALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL54346 0.82 HTR2A (0.59) LMNAPOLBTAAR1HTR2AHRH1
SCHEMBL20566315 0.81 CA1 (0.50) HCAR2LMNAALDH1A1KDM4ECYP2C19
Ammonia Solution, Strong SCHEMBL5683105 0.79 HTR2A (0.56) LMNACYP2C19CYP3A4TSHRPOLB
Ammonia Solution, Strong SCHEMBL10389261 0.79 HTR2A (0.56) LMNACYP2C19CYP3A4TSHRPOLB

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
WO-2001012742-A1 CORRECTION TAPE HAVING DYE MIGRATION BLOCKING PROPERTIES BIC CORPORATION (US) 2001-02-22 WO disclosed