Maleic Acid

Maleic Acid

SCHEMBL8375138

CCCCCCN(C=C1CC=NC(N)=C1O)CCCCCC.CN(C)C(=O)O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.33

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 17)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.33
ATG4B Q9Y4P1 11/20 0.31
PLA2G1B P04054 9/20 0.31
TDP1 Q9NUW8 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.31
RECQL P46063 1/20 0.31
SELP P16109 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8379409 0.88
SCHEMBL8375866 0.77 NCEH1 (0.33)
Maleic Acid SCHEMBL8375868 0.74 MAPK1 (0.30)
Dimethylcarbate SCHEMBL8375867 0.63
Fumaric Acid SCHEMBL8163634 0.62 DNM1 (0.62) ZDHHC20ATG4BPLA2G1BTDP1THRA
Maleic Acid SCHEMBL8163631 0.62 DNM1 (0.62) ZDHHC20ATG4BPLA2G1BTDP1THRA
SCHEMBL3281967 0.61 ZDHHC20 (0.49) ZDHHC20TDP1MEN1KMT2A
SCHEMBL3279210 0.61 ZDHHC20 (0.49) ZDHHC20TDP1MEN1KMT2A
Maleic Acid SCHEMBL28447239 0.61 DNM1 (0.64) ZDHHC20ATG4BPLA2G1BTDP1THRA
SCHEMBL3281988 0.61 ZDHHC20 (0.49) ZDHHC20TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869480-A ALLEVIATING MEMORY DYSFUNCTION CHARACTERIZED BY CHOLINERGIC DEFICIT HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed
US-5866565-A ALZHEIMER'S DISORDERS HOECHST MARION ROUSSEL INC. (US) 1999-02-02 US disclosed
US-5821239-A USEFUL FOR TREATING ALZHEIMER'S DISEASE CAUSED BY CHOLINERGIC DEFICIT FROMMER LAWRENCE & HUAG LLP (US) 1998-10-13 US disclosed