Fumaric Acid

Fumaric Acid

SCHEMBL9602547

CC(C)NCC(O)COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.41

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 2/20 0.41
KMT2A known ✓ Q03164 2/20 0.41
ADRB2 known ✓ P07550 3/20 0.38
ADRB1 known ✓ P08588 3/20 0.38
ADRA1D known ✓ P25100 1/20 0.37
ADRA1A known ✓ P35348 1/20 0.37
ADRA1B known ✓ P35368 1/20 0.37
LMNA P02545 3/20 0.41
NFKB1 P19838 2/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
ADRB3 P13945 2/20 0.38
CYP2D6 P10635 2/20 0.38
OPRK1 P41145 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 SCHEMBL9602540 1.00 LMNA (0.41) LMNAMEN1KMT2ANFKB1THRB
SCHEMBL9601947 0.95 ADRB1 (0.39) LMNAMEN1KMT2ANFKB1ADRB2
Fumaric Acid SCHEMBL9865911 0.88 KDM4E (0.35) LMNAMEN1KMT2AMAPK1KDM4E
Maleic Acid SCHEMBL9602648 0.88 CYP1A2 (0.40) LMNAADRB2ADRB1CYP1A2ADRB3
Fumaric Acid SCHEMBL9602652 0.88 CYP1A2 (0.40) LMNAADRB2ADRB1CYP1A2ADRB3
Fumaric Acid SCHEMBL9603160 0.87 KDM4E (0.35) LMNAMAPK1KDM4E
Fumaric Acid SCHEMBL9603164 0.87 KDM4E (0.35) LMNAMAPK1KDM4E
SCHEMBL9602809 0.83 DRD2 (0.34) LMNAMEN1KMT2AADRB2CYP1A2
Fumaric Acid SCHEMBL9868348 0.82 L3MBTL1 (0.37) LMNAMEN1KMT2ATHRBTDP1
Fumaric Acid SCHEMBL9601552 0.82 L3MBTL1 (0.37) LMNAMEN1KMT2ATHRBTDP1

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
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed