Fumaric Acid

Fumaric Acid

SCHEMBL5168906

CCc1ccc(CCOc2ccc(C=O)cc2)nc1.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
PPARG known ✓ P37231 3/20 0.52
MEN1 known ✓ O00255 1/20 0.41
KMT2A known ✓ Q03164 1/20 0.41
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
CYP3A4 P08684 1/20 0.51
RXRA P19793 1/20 0.51
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MITF O75030 1/20 0.42
KLF5 Q13887 1/20 0.42
POLB P06746 1/20 0.41
TBXAS1 P24557 2/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
Oxalic Acid SCHEMBL5167729 0.93 HPGD (0.57) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL30599264 0.92 HPGD (0.64) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3258559 0.92 HPGD (0.64) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7905732 0.91 PPARG (0.54) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7905734 0.91 PPARG (0.54) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL5168951 0.90 HPGD (0.62) HPGDALDH1A1SMN1; SMN2LMNAMAPT
Trifluoroacetic Acid SCHEMBL5180863 0.89 HPGD (0.52) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL943063 0.80 PPARG (0.58) ALDH1A1SMN1; SMN2PPARGCYP3A4RXRA
SCHEMBL1162595 0.79 LMNA (0.63) LMNAPPARGCYP3A4RXRACYP4F2
Pioglitazone SCHEMBL3862566 0.78 PPARG (0.86) HPGDALDH1A1MAPTPPARGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694646-B1 PROCESS FOR THE SYNTHESIS OF PIOGLITAZONE HYDROGEN CHLORIDE RICHTER GEDEON VEGYESZET (HU) 2007-04-25 EP disclosed
EP-1694646-A1 PROCESS FOR THE SYNTHESIS OF PIOGLITAZONE HYDROGEN CHLORIDE RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2006-08-30 EP disclosed
WO-2005058827-A1 PROCESS FOR THE SYNTHESIS OF PIOGLITAZONE HYDROGEN CHLORIDE Richter Gedeon Vegyészeti Gyár Rt. (HU) 2005-06-30 WO disclosed