Fumaric Acid

Fumaric Acid

SCHEMBL8883754

CN1CC[C@]2(C)c3ccc(O)cc3N(C)[C@H]12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.83

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.65
KMT2A known ✓ Q03164 2/20 0.65
KDM4E B2RXH2 7/20 0.83
MAPT P10636 3/20 0.83
ALDH1A1 P00352 3/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
LMNA P02545 2/20 0.83
BLM P54132 2/20 0.83
G6PD P11413 1/20 0.83
GMNN O75496 1/20 0.83
THRB P10828 1/20 0.83
PMP22 Q01453 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
CYP2D6 P10635 3/20 0.65
TP53 P04637 2/20 0.65
ALOX15 P16050 2/20 0.65
CYP1A2 P05177 2/20 0.65
HIF1A Q16665 2/20 0.65
MTOR P42345 1/20 0.65
CYP3A4 P08684 1/20 0.65

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 SCHEMBL8668041 1.00 KDM4E (0.83) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL9030046 1.00 KDM4E (0.83) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL2262703 0.91 KDM4E (1.00) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL29360188 0.91 KDM4E (1.00) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8881949 0.90 KDM4E (0.79) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9028804 0.90 KDM4E (0.79) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8883825 0.90 KDM4E (0.79) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL9029647 0.85 KDM4E (0.64) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
Maleic Acid SCHEMBL8670810 0.85 KDM4E (0.64) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL9029655 0.85 KDM4E (0.64) KDM4EMAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591864-A CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS HOECHST MARION ROUSSEL, INC. (US) 1997-01-07 US claimed
US-5591864-A CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS HOECHST MARION ROUSSEL, INC. (US) 1997-01-07 US disclosed
EP-0484573-B1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-13 EP disclosed
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US disclosed
EP-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed
US-5081117-A Treatment of memory dysfunctions such as in Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-14 US disclosed