Maleic Acid

Maleic Acid

SCHEMBL9046565

COc1ccc2[nH]cc(C3=CCN(CCc4cnn(-c5ccccc5OCC(C)C)c4)CC3)c2c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.51

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 5)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 15/20 0.51
DRD2 known ✓ P14416 12/20 0.51
HTR2A known ✓ P28223 3/20 0.44
DRD1 known ✓ P21728 1/20 0.44
DRD3 P35462 1/20 0.44

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 SCHEMBL30908879 1.00 HTR1A (0.51) HTR1ADRD2HTR2ADRD1DRD3
Sulfuric Acid SCHEMBL9046410 0.77 HTR1A (0.48) HTR1ADRD2HTR2A
Sulfuric Acid SCHEMBL30909161 0.77 HTR1A (0.48) HTR1ADRD2HTR2A
SCHEMBL7465475 0.75 HTR1A (0.57) HTR1ADRD2HTR2ADRD3
SCHEMBL7452193 0.73 HTR1A (0.57) HTR1ADRD2HTR2A
Maleic Acid SCHEMBL30909027 0.73 KDM4A (0.49) HTR1ADRD2HTR2A
Maleic Acid SCHEMBL9046255 0.73 KDM4A (0.49) HTR1ADRD2HTR2A
SCHEMBL7456118 0.72 HTR1A (0.49) HTR1ADRD2HTR2A
SCHEMBL7455854 0.71 HTR1A (0.60) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9045432 0.70 HTR1A (0.60) HTR1ADRD2HTR2A

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-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed