Fumaric Acid

Fumaric Acid

SCHEMBL9602985

CC(COc1ccc(N2N=C3c4cc(Cl)ccc4CCC3CC2=O)cc1)N(C)C.O=C(O)C=CC(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 3/20 0.33
KMT2A known ✓ Q03164 3/20 0.33
HTR2A known ✓ P28223 3/20 0.31
S1PR1 known ✓ P21453 2/20 0.30
PPARG known ✓ P37231 1/20 0.30
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
FFAR1 O14842 1/20 0.31
HPGD P15428 1/20 0.31
S1PR3 Q99500 2/20 0.30
ALOX12 P18054 1/20 0.30
PPARA Q07869 1/20 0.30

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 SCHEMBL9602984 1.00 MAPT (0.33) MAPTLMNAALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL9603164 0.91 KDM4E (0.35) MAPTLMNAALDH1A1GAAHTR2A
Fumaric Acid SCHEMBL9603160 0.91 KDM4E (0.35) MAPTLMNAALDH1A1GAAHTR2A
Maleic Acid SCHEMBL9866351 0.90 ALDH1A1 (0.33) LMNAALDH1A1L3MBTL1POLBTHRB
Fumaric Acid SCHEMBL9866359 0.90 ALDH1A1 (0.33) LMNAALDH1A1L3MBTL1POLBTHRB
SCHEMBL9601960 0.84 CDK4 (0.34) S1PR1S1PR3
SCHEMBL9602515 0.84 ALDH1A1 (0.33) MAPTLMNAALDH1A1GAAHTR2A
SCHEMBL9867304 0.84 MAOA (0.35) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL9603020 0.81 MAPT (0.39) MAPTLMNAMEN1KMT2ATDP1
Fumaric Acid SCHEMBL9865911 0.80 KDM4E (0.35) MAPTLMNAALDH1A1MEN1KMT2A

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
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed