Fumaric Acid

Fumaric Acid

SCHEMBL9237361

CCOC(=O)CCCn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FAAH O00519 2/20 0.42
LTA4H P09960 3/20 0.41
GSK3B P49841 1/20 0.39
LSS P48449 3/20 0.39
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
GAA P10253 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
POLB P06746 1/20 0.36

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 SCHEMBL9237366 1.00 MAPT (0.42) MAPTALDH1A1FAAHLTA4HGSK3B
Fumaric Acid SCHEMBL9236902 0.91 GAA (0.46) MAPTALDH1A1FAAHLTA4HLSS
Maleic Acid SCHEMBL9236897 0.91 GAA (0.46) MAPTALDH1A1FAAHLTA4HLSS
SCHEMBL9876908 0.91 ALDH1A1 (0.51) MAPTALDH1A1FAAHLTA4HGSK3B
Fumaric Acid SCHEMBL9232176 0.90 GSK3B (0.42) ALDH1A1GSK3BLSSBCHEACHE
Maleic Acid SCHEMBL9232171 0.90 GSK3B (0.42) ALDH1A1GSK3BLSSBCHEACHE
Fumaric Acid SCHEMBL9234273 0.87 LSS (0.41) ALDH1A1GSK3BLSSBCHEACHE
Maleic Acid SCHEMBL9236899 0.87 GAA (0.47) MAPTALDH1A1LTA4HLSSBCHE
Fumaric Acid SCHEMBL9236905 0.87 GAA (0.47) MAPTALDH1A1LTA4HLSSBCHE
Fumaric Acid SCHEMBL9234267 0.87 LSS (0.41) ALDH1A1GSK3BLSSBCHEACHE

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
EP-0641564-A1 OPTICALLY ACTIVE CONDENSED PYRAZOLE COMPOUND FOR USE IN TREATING THROMBOCYTOPENIA AND ERYTHROPENIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed