Fumaric Acid

Fumaric Acid

SCHEMBL7796790

CCCCN.CCCCN.O=C(O)/C=C/C(=O)O

nearest known ligand 0.52

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 18)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.46
KMT2A known ✓ Q03164 2/20 0.46
HCAR2 Q8TDS4 4/20 0.52
TSHR P16473 4/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
GABRR1 P24046 2/20 0.44
GABRR2 P28476 2/20 0.44
BLM P54132 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DNM1 Q05193 4/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.43

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
Maleic Acid SCHEMBL18628259 1.00 HCAR2 (0.52) HCAR2MEN1KMT2ATSHRTP53
Maleic Acid SCHEMBL9314759 1.00 HCAR2 (0.52) HCAR2MEN1KMT2ATSHRTP53
Fumaric Acid SCHEMBL7796800 1.00 HCAR2 (0.52) HCAR2MEN1KMT2ATSHRTP53
Fumaric Acid SCHEMBL7796795 1.00 HCAR2 (0.52) HCAR2MEN1KMT2ATSHRTP53
Fumaric Acid SCHEMBL6899442 1.00 HCAR2 (0.52) HCAR2MEN1KMT2ATSHRTP53
Fumaric Acid SCHEMBL28180759 0.93 DNM1 (0.55) HCAR2MEN1KMT2ATSHRDNM1
Dodecylamine SCHEMBL7596339 0.91 DNM1 (0.59) HCAR2MEN1KMT2ATSHRDNM1
Octadecylamine SCHEMBL28409810 0.91 DNM1 (0.59) HCAR2MEN1KMT2ATSHRDNM1
Dodecylamine SCHEMBL7596348 0.91 DNM1 (0.59) HCAR2MEN1KMT2ATSHRDNM1
Fumaric Acid SCHEMBL9420126 0.88 ALOX15 (0.44) HCAR2MEN1KMT2ATSHRALDH1A1

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-1159334-A1 PROCESS FOR THE MANUFACTURE OF FUNCTIONALIZED POLYPHENYLENE ETHERS GENERAL ELECTRIC COMPANY (US) 2001-12-05 EP disclosed
WO-2000064973-A1 COMPOSITIONS OF STYRENIC BLOCK COPOLYMER RESIN AND POLYPHENYLENE ETHER RESIN GENERAL ELECTRIC COMPANY (US) 2000-11-02 WO disclosed
WO-2000046274-A1 PROCESS FOR THE MANUFACTURE OF FUNCTIONALIZED POLYPHENYLENE ETHERS GENERAL ELECTRIC COMPANY (US) 2000-08-10 WO disclosed