Fumaric Acid

Fumaric Acid

SCHEMBL9411463

Cc1ccc2c(=O)n(CCC3CCN(CCc4ccccc4)CC3)oc2c1.O=C(O)C=CC(=O)O

nearest known ligand 0.45

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 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 known ✓ O00255 1/20 0.43
▸ KMT2A known ✓ Q03164 1/20 0.43
▸ HRH1 known ✓ P35367 1/20 0.42
▸ ACHE P22303 3/20 0.45
▸ BCHE P06276 2/20 0.45
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42

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 SCHEMBL9411459 1.00 ACHE (0.45) ACHEBCHEMEN1KMT2AHRH1
SCHEMBL9411434 0.94 MAOA (0.46) ACHEMEN1KMT2AHRH1MAOB
Fumaric Acid SCHEMBL9411356 0.93 ACHE (0.45) ACHEBCHEMEN1KMT2AHRH1
Fumaric Acid SCHEMBL9411360 0.93 ACHE (0.45) ACHEBCHEMEN1KMT2AHRH1
SCHEMBL9411236 0.88 MAOA (0.45) ACHEMEN1KMT2AHRH1MAOB
SCHEMBL9411206 0.86 ACHE (0.50) ACHEMEN1KMT2AHRH1MAOB
SCHEMBL9411647 0.85 ACHE (0.53) ACHEBCHEMEN1KMT2AMAOB
Fumaric Acid SCHEMBL9411594 0.85 OPRM1 (0.39) ACHEBCHE
Fumaric Acid SCHEMBL9411592 0.85 OPRM1 (0.39) ACHEBCHE
SCHEMBL9411209 0.82 DRD2 (0.48) —

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
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 — — EP disclosed
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