Maleic Acid

Maleic Acid

SCHEMBL9716697

CC(C)CN(CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CC(C)C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.57

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 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 5/20 0.40
SLC6A4 known ✓ P31645 5/20 0.40
SLC6A3 known ✓ Q01959 2/20 0.39
BCL2 P10415 2/20 0.57
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 3/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MIF P14174 1/20 0.36
POLB P06746 1/20 0.35

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 SCHEMBL9716708 1.00 BCL2 (0.57) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL9716886 0.96 BCL2 (0.62) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Maleic Acid SCHEMBL9716880 0.96 BCL2 (0.62) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Maleic Acid SCHEMBL9716757 0.89 BCL2 (0.42) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL9716767 0.89 BCL2 (0.42) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL9716792 0.89 SIGMAR1 (0.52) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Maleic Acid SCHEMBL9716787 0.89 SIGMAR1 (0.52) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL9716694 0.88 SLC6A2 (0.44) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Maleic Acid SCHEMBL9716688 0.88 SLC6A2 (0.44) BCL2SIGMAR1SLC6A2SLC6A4SLC6A3
Fumaric Acid SCHEMBL9716794 0.86 THRB (0.42) BCL2SIGMAR1SLC6A2SLC6A4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US claimed
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US disclosed