Maleic Acid

Maleic Acid

SCHEMBL9017934

CN(C)C(=O)Oc1cnccc1N=CN(C)C1CCCCC1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.37

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 20)

geneUniProtsupporting neighboursconfidence
JAK3 known ✓ P52333 1/20 0.31
BCHE P06276 4/20 0.31
NCEH1 Q6PIU2 1/20 0.31
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 2/20 0.31
ITGB1 P05556 2/20 0.31
ITGA4 P13612 2/20 0.31
ACHE P22303 2/20 0.31
PRMT3 O60678 1/20 0.31
ATM Q13315 1/20 0.31
LCK P06239 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
CYP1A2 P05177 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
Fumaric Acid SCHEMBL9017938 1.00 BCHE (0.31) BCHENCEH1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9017918 0.95 BCHE (0.34) BCHENCEH1ALDH1A1MAPK1ACHE
SCHEMBL9017936 0.86 MEN1 (0.30) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
Maleic Acid SCHEMBL9681627 0.82 MEN1 (0.32) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL9017846 0.78 RAB9A (0.38) BCHENCEH1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9017843 0.78 RAB9A (0.38) BCHENCEH1ALDH1A1SMN1; SMN2NPC1
Maleic Acid SCHEMBL9017901 0.77 KDM4E (0.34) BCHENCEH1ACHEMAOAMAOB
Maleic Acid SCHEMBL9017929 0.75 MAPT (0.34) NCEH1ALDH1A1MEN1KMT2ACYP1A2
Fumaric Acid SCHEMBL9017933 0.75 MAPT (0.34) NCEH1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9017889 0.75 ACHE (0.39) BCHENCEH1ACHENPC1RAB9A

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
EP-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP disclosed