Fumaric Acid

Fumaric Acid

SCHEMBL9637844

CN(C)CC1c2ccoc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.89

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 8)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.44
KMT2A known ✓ Q03164 1/20 0.44
OPRK1 P41145 12/20 0.89
OPRD1 P41143 4/20 0.56
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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 SCHEMBL9637849 1.00 OPRK1 (0.89) OPRK1OPRD1MEN1LMNAMAPK1
Fumaric Acid SCHEMBL9636739 0.83 OPRK1 (0.90) OPRK1OPRD1
Fumaric Acid SCHEMBL9636731 0.83 OPRK1 (0.90) OPRK1OPRD1
SCHEMBL9637956 0.83 OPRK1 (0.78) OPRK1OPRD1KMT2A
Fumaric Acid SCHEMBL10517432 0.82 OPRD1 (0.66) OPRK1OPRD1MEN1LMNAMAPK1
Fumaric Acid SCHEMBL10517419 0.82 OPRD1 (0.66) OPRK1OPRD1MEN1LMNAMAPK1
Fumaric Acid SCHEMBL9637934 0.82 OPRK1 (0.90) OPRK1OPRD1
Fumaric Acid SCHEMBL9637939 0.82 OPRK1 (0.90) OPRK1OPRD1
SCHEMBL9636786 0.79 OPRK1 (1.00) OPRK1OPRD1
SCHEMBL9528122 0.78 OPRK1 (0.71) OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5109008-A Analgesics, diuretics, antiischemic agents GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
EP-0366327-A1 Furo- and thieno[3,2-c]pyridines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1990-05-02 EP disclosed