Fumaric Acid

Fumaric Acid

SCHEMBL9296208

COc1ccc(CN2CCN(CCCOc3cc(C)c(O)c(C)c3C)CC2)c(OC)c1OC.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.54

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 7)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 4/20 0.54
KMT2A known ✓ Q03164 4/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CPT1B Q92523 1/20 0.51
ALOX5 P09917 7/20 0.51

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 SCHEMBL9296210 1.00 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015966 0.92 CPT1B (0.58) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015965 0.89 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015951 0.82 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9295816 0.77 CPT1B (0.65) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015994 0.77 SMN1; SMN2 (0.59) MEN1KMT2AKDM4EALDH1A1ALOX5
Fumaric Acid SCHEMBL29802140 0.77 CPT1B (0.86) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9622306 0.77 ALOX5 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015968 0.76 LMNA (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9016004 0.74 ALOX5 (0.54) MEN1KMT2AALDH1A1LMNAALOX5

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
US-5283246-A Trimetazidine compounds ADIR ET COMPAGNIE (FR) 1994-02-01 US disclosed