Maleic Acid

Maleic Acid

SCHEMBL28406512

CC(C)=CC(O)COCCOCCO.O=C(O)/C=C\C(=O)O

nearest known ligand 0.34

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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 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HCAR2 Q8TDS4 4/20 0.32
MAPK1 P28482 2/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 2/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10354328 0.88 MEN1 (0.44) KMT2AMEN1MAPK1TSHRTHRB
SCHEMBL7573626 0.85 TSHR (0.38) KMT2AMEN1MAPK1TSHRTHRB
Tetraethylene Glycol SCHEMBL9189750 0.81 MEN1 (0.37) KMT2AMEN1MAPK1TSHRTHRB
Fumaric Acid SCHEMBL9719235 0.80 HSD17B10 (0.44) KMT2AMEN1HCAR2MAPK1TSHR
Maleic Acid SCHEMBL9719226 0.80 HSD17B10 (0.44) KMT2AMEN1HCAR2MAPK1TSHR
Fumaric Acid SCHEMBL9719239 0.80 HSD17B10 (0.44) KMT2AMEN1HCAR2MAPK1TSHR
Fumaric Acid SCHEMBL9719243 0.80 HSD17B10 (0.44) KMT2AMEN1HCAR2MAPK1TSHR
Triethylene Glycol SCHEMBL29634750 0.77 MEN1 (0.58) KMT2AMEN1HCAR2MAPK1TSHR
Triethylene Glycol SCHEMBL22117113 0.77 MEN1 (0.58) KMT2AMEN1HCAR2MAPK1TSHR
Triethylene Glycol SCHEMBL15282147 0.77 MEN1 (0.58) KMT2AMEN1HCAR2MAPK1TSHR

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-107758687-B Synthesis method of disk-shaped mordenite with different thicknesses 中国石油化工股份有限公司 2020-06-09 CN disclosed