Fumaric Acid

Fumaric Acid

SCHEMBL6977237

CCOc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OCC.O=C(O)C=CC(=O)O

nearest known ligand 0.69

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 2/20 0.33
KMT2A known ✓ Q03164 2/20 0.33
ACHE P22303 2/20 0.69
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MME P08473 1/20 0.36
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MITF O75030 1/20 0.35
GCK P35557 2/20 0.35
ALDH1A1 P00352 2/20 0.33
AHR P35869 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
Fumaric Acid SCHEMBL6977225 1.00 ACHE (0.69) ACHEHPGDTSHRLMNANPSR1
Fumaric Acid SCHEMBL6969029 0.94 ACHE (0.77) ACHEHPGDTSHRLMNANPSR1
Maleic Acid SCHEMBL6969019 0.94 ACHE (0.77) ACHEHPGDTSHRLMNANPSR1
Maleic Acid SCHEMBL6963772 0.90 ACHE (0.73) ACHEHPGDTSHRLMNANPSR1
Fumaric Acid SCHEMBL6976944 0.90 ACHE (0.79) ACHEHPGDTSHRLMNANPSR1
Maleic Acid SCHEMBL6976912 0.90 ACHE (0.79) ACHEHPGDTSHRLMNANPSR1
Fumaric Acid SCHEMBL6963801 0.90 ACHE (0.73) ACHEHPGDTSHRLMNANPSR1
Fumaric Acid SCHEMBL6974301 0.89 ACHE (0.70) ACHEHPGDTSHRLMNANPSR1
Fumaric Acid SCHEMBL6974308 0.89 ACHE (0.70) ACHEHPGDTSHRLMNANPSR1
SCHEMBL28440118 0.89 ACHE (0.85) ACHEHPGDTSHRLMNANPSR1

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