Maleic Acid

Maleic Acid

SCHEMBL9773162

CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC.O=C(O)/C=C\C(=O)O

nearest known ligand 0.72

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 9)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 14/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP3A4 P08684 1/20 0.72
ALOX15 P16050 1/20 0.72
LMNA P02545 2/20 0.69
USP2 O75604 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.58
ABCB11 O95342 1/20 0.46

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 SCHEMBL194895 1.00 ACE (0.72) ACEMEN1KMT2ACYP3A4ALOX15
Maleic Acid SCHEMBL9773179 1.00 ACE (0.72) ACEMEN1KMT2ACYP3A4ALOX15
Maleic Acid SCHEMBL9773197 0.97 ACE (0.69) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775445 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773138 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9593609 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775474 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773238 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773120 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773161 0.96 ACE (0.77) ACEMEN1KMT2ACYP3A4ALOX15

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-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed