Maleic Acid

Maleic Acid

SCHEMBL11250986

Cc1cc(OCCn2ccnc2C)cc(C)c1Cl.O=C(O)/C=C\C(=O)O

nearest known ligand 0.61

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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 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.50
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44

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
Maleic Acid SCHEMBL11264466 0.90 ALDH1A1 (0.43) MCL1ALDH1A1SMN1; SMN2HTTKDM4E
Maleic Acid SCHEMBL11263894 0.90 ALDH1A1 (0.43) MCL1ALDH1A1SMN1; SMN2HTTKDM4E
Maleic Acid SCHEMBL11248410 0.81 KDM4E (0.58) ALDH1A1TP53SMN1; SMN2HTTKDM4E
Maleic Acid SCHEMBL11258141 0.80 KMT2A (0.42) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
Maleic Acid SCHEMBL11241428 0.79 KDM4E (0.50) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
Maleic Acid SCHEMBL11260650 0.78 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2HTTKDM4E
SCHEMBL11240131 0.77 ALDH1A1 (0.47) ALDH1A1TP53GAAMAPK1HSD17B10
Maleic Acid SCHEMBL11250777 0.77 KDM4E (0.48) MCL1ALDH1A1GAAHTTKDM4E
Maleic Acid SCHEMBL11253828 0.74 KDM4E (0.50) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL11247290 0.72 NPSR1 (0.55) ALDH1A1SMN1; SMN2KMT2AMAPT

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-0049060-A1 Imidazoles BEECHAM GROUP PLC (GB) 1982-04-07 EP disclosed