Fumaric Acid

Fumaric Acid

SCHEMBL7591009

COc1ccc([C@@H]2Nc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.63

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
▸ CACNA1S known ✓ Q13698 13/20 0.63
▸ KCNH2 known ✓ Q12809 2/20 0.51
▸ CACNA1F known ✓ O60840 1/20 0.51
▸ ADRA1A known ✓ P35348 1/20 0.51
▸ CACNA1D known ✓ Q01668 1/20 0.51
▸ CACNA1C known ✓ Q13936 1/20 0.51
▸ MEN1 known ✓ O00255 1/20 0.51
▸ KMT2A known ✓ Q03164 1/20 0.51
▸ HTR2A known ✓ P28223 1/20 0.42
▸ HTR2C known ✓ P28335 1/20 0.42
▸ CYP3A4 P08684 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ABCB11 O95342 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ SCN1A P35498 1/20 0.51
▸ SCN4A P35499 1/20 0.51
▸ HTT P42858 1/20 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
Maleic Acid SCHEMBL7590970 1.00 CACNA1S (0.63) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL7266655 0.83 CACNA1S (0.79) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL7267636 0.83 CACNA1S (0.79) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL387182 0.83 CACNA1S (0.79) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL387183 0.83 CACNA1S (0.79) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL7266652 0.83 CACNA1S (0.79) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL7291811 0.77 CACNA1S (1.00) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL33910 0.77 CACNA1S (0.86) CACNA1SCYP3A4TSHRABCB11LMNA
SCHEMBL7291802 0.77 CACNA1S (1.00) CACNA1SCYP3A4TSHRABCB11LMNA
Clentiazem SCHEMBL33909 0.77 CACNA1S (0.86) CACNA1SCYP3A4TSHRABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335560-B2 Controlled release pharmaceutical preparation and method for producing the same TANABE SEIYAKU CO (JP) 2002-01-23 — — EP disclosed
EP-0335560-B1 CONTROLLED RELEASE PHARMACEUTICAL PREPARATION AND METHOD FOR PRODUCING THE SAME Tanabe Seiyaku Co., Ltd. (JP) 1993-07-28 — — EP disclosed
US-5068112-A Core containing active ingredient and succinic acid with surface porous film of cellulose TANABE SEIYAKU CO., LTD. (JP) 1991-11-26 — — US disclosed
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