Maleic Acid

Maleic Acid

SCHEMBL9757972

CN1C2CCC1CC(NC(=O)c1cccc3c1SC(C)(C)C3)C2.O=C(O)/C=C\C(=O)O

nearest known ligand 0.50

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 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HTR3A P46098 6/20 0.42
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL8940279 0.94 MEN1 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL10482709 0.80 KDM4E (0.48) KDM4EHTR3A
SCHEMBL8939998 0.73 PKM (0.52) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL9201788 0.71 MEN1 (0.55) MEN1KMT2A
SCHEMBL7276361 0.70 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7270849 0.70 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7269268 0.70 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7270520 0.70 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7269216 0.70 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7269263 0.70 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C

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
US-4997956-A Analgesics ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed