Maleic Acid

Maleic Acid

SCHEMBL27344003

O=C(O)/C=C\C(=O)O.c1ccc(CCN2CCC(CCc3n[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.53

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
HRH3 known ✓ Q9Y5N1 1/20 0.47
GSK3B P49841 4/20 0.46
ACHE P22303 4/20 0.46
BCHE P06276 2/20 0.46
CCR3 P51677 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 SCHEMBL7557991 0.91 ACHE (0.55) ACHEBCHE
Fumaric Acid SCHEMBL6989606 0.91 ACHE (0.55) ACHEBCHE
Maleic Acid SCHEMBL27339115 0.82 ACHE (0.69) HRH3ACHEBCHECCR3
Maleic Acid SCHEMBL27339116 0.82 ACHE (0.69) HRH3ACHEBCHECCR3
SCHEMBL6989630 0.82 ACHE (0.64) HRH3ACHEBCHE
Maleic Acid SCHEMBL27352164 0.80 ACHE (0.69) ACHEBCHE
Maleic Acid SCHEMBL27342890 0.80 ACHE (0.69) HRH3ACHEBCHECCR3
Maleic Acid SCHEMBL27342891 0.80 ACHE (0.69) HRH3ACHEBCHECCR3
Maleic Acid SCHEMBL27352167 0.80 ACHE (0.69) ACHEBCHE
SCHEMBL8299035 0.80 ACHE (0.58) HRH3ACHE

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
CN-1044242-C Heterocyclic-cyclic amine derivatives PFIZER (US) 1999-07-21 CN disclosed