Maleic Acid

Maleic Acid

SCHEMBL11245948

CCc1nccn1CCOc1ccc(Cl)cc1Cl.O=C(O)/C=C\C(=O)O

nearest known ligand 0.47

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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 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 4/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
S1PR4 O95977 1/20 0.42
XBP1 P17861 1/20 0.41
GAA P10253 1/20 0.41

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 SCHEMBL11241428 0.87 KDM4E (0.50) KDM4ENPC1RAB9ALMNAPKM
Maleic Acid SCHEMBL11248410 0.78 KDM4E (0.58) KDM4ENPC1RAB9ALMNAHPGD
SCHEMBL11241447 0.75 HPGD (0.56) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL9264976 0.70 HTT (0.43) KDM4ENPC1RAB9AHPGDSMN1; SMN2
Maleic Acid SCHEMBL11260650 0.70 ALDH1A1 (0.50) KDM4ERAB9ALMNASMN1; SMN2MEN1
Maleic Acid SCHEMBL11263894 0.68 ALDH1A1 (0.43) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
Maleic Acid SCHEMBL11264466 0.68 ALDH1A1 (0.43) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2127853 0.68 ALPG (0.42) SMN1; SMN2ALDH1A1
Maleic Acid SCHEMBL11258141 0.68 KMT2A (0.42) KDM4ERAB9ALMNASMN1; SMN2MEN1
Maleic Acid SCHEMBL11253828 0.67 KDM4E (0.50) KDM4EPKMSMN1; SMN2MEN1ALDH1A1

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