Maleic Acid

Maleic Acid

SCHEMBL3633691

COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCCC3C)cc2)cc1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 7/20 0.85
KCNH2 Q12809 8/20 0.85

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 SCHEMBL1141068 1.00 KCNH2 (0.85) KCNH2HRH3
Fumaric Acid SCHEMBL1141067 1.00 KCNH2 (0.85) KCNH2HRH3
Maleic Acid SCHEMBL1141066 1.00 KCNH2 (0.85) KCNH2HRH3
SCHEMBL1128120 0.92 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1128396 0.92 KCNH2 (1.00) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141464 0.92 KCNH2 (0.98) KCNH2HRH3
Hydrochloric Acid SCHEMBL1141460 0.92 KCNH2 (0.98) KCNH2HRH3
SCHEMBL1938186 0.87 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1939700 0.87 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1939411 0.87 KCNH2 (1.00) KCNH2HRH3

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
WO-2013151982-A1 METHODS AND COMPOUNDS USEFUL IN TREATING PRURITUS, AND METHODS FOR IDENTIFYING SUCH COMPOUNDS ARENA PHARMACEUTICALS, INC. (US) 2013-10-10 WO disclosed
EP-2155668-A2 CRYSTALLINE FORMS OF (R)-1-{2-Ý4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL¨-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008153958-A2 CRYSTALLINE FORMS OF (R)-1-{2-[4'- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-12-18 WO disclosed