Fumaric Acid

Fumaric Acid

SCHEMBL7681297

C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 3)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.75
KMT2A known ✓ Q03164 1/20 0.75
LSS P48449 20/20 1.00

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 SCHEMBL7681307 1.00 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7679409 0.96 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL4437311 0.90 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7685917 0.90 LSS (0.82) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7685922 0.90 LSS (0.82) LSSMEN1KMT2A
Fumaric Acid SCHEMBL3189902 0.90 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL29455114 0.90 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7684106 0.89 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7684100 0.89 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7685733 0.89 LSS (1.00) LSSMEN1KMT2A

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-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed