Fumaric Acid

Fumaric Acid

SCHEMBL1020193

C(#Cc1ccc(OC2CN3CCC2CC3)cc1)c1ccccc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.53

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 13)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 3/20 0.46
CHRM3 known ✓ P20309 3/20 0.46
MEN1 known ✓ O00255 1/20 0.46
KMT2A known ✓ Q03164 1/20 0.46
LSS P48449 1/20 0.53
CHRNA7 P36544 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CHRM1 P11229 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45

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
SCHEMBL1018531 0.90 LSS (0.52) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL1018663 0.82 CHRNA7 (0.41) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL5420562 0.82 CHRNA7 (0.50) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL5420571 0.82 CHRNA7 (0.50) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL5650250 0.81 LSS (0.54) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL5650257 0.81 LSS (0.54) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL5648834 0.79 LSS (0.51) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL5648824 0.79 LSS (0.51) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL1798517 0.78 LSS (0.46) LSSCHRNA7BCHEACHECHRM2
Fumaric Acid SCHEMBL1798513 0.78 LSS (0.46) LSSCHRNA7BCHEACHECHRM2

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-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP disclosed