Fumaric Acid

Fumaric Acid

SCHEMBL6975157

COc1cccc(OC)c1C(=O)Nc1nc(C(=O)NCCN(C)C)cs1.O=C(O)C=CC(=O)O

nearest known ligand 0.52

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
MAP2K1 known ✓ Q02750 1/20 0.42
PPARG known ✓ P37231 1/20 0.40
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 2/20 0.51
ACHE P22303 2/20 0.50
RAD52 P43351 2/20 0.43
SMARCA2 P51531 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPKAPK2 P49137 1/20 0.42
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MME P08473 1/20 0.40
ABL1 P00519 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
Maleic Acid SCHEMBL6975142 1.00 KDM4E (0.51) KDM4EALDH1A1MAPK1ACHERAD52
Maleic Acid SCHEMBL6971346 0.91 ACHE (0.49) KDM4EALDH1A1MAPK1ACHERAD52
Fumaric Acid SCHEMBL6971359 0.91 ACHE (0.49) KDM4EALDH1A1MAPK1ACHERAD52
Maleic Acid SCHEMBL6973815 0.90 ACHE (0.54) KDM4EALDH1A1MAPK1ACHERAD52
Fumaric Acid SCHEMBL6973849 0.90 ACHE (0.54) KDM4EALDH1A1MAPK1ACHERAD52
Fumaric Acid SCHEMBL6967326 0.90 ACHE (0.54) KDM4EALDH1A1ACHERAD52SMARCA2
Maleic Acid SCHEMBL6962604 0.90 ACHE (0.51) KDM4EALDH1A1MAPK1ACHERAD52
Fumaric Acid SCHEMBL6962611 0.90 ACHE (0.51) KDM4EALDH1A1MAPK1ACHERAD52
Maleic Acid SCHEMBL6967317 0.90 ACHE (0.54) KDM4EALDH1A1ACHERAD52SMARCA2
Maleic Acid SCHEMBL6964004 0.89 ACHE (0.51) KDM4EALDH1A1MAPK1ACHERAD52

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed