Maleic Acid

Maleic Acid

SCHEMBL8015447

Cc1noc(-c2ccccc2N(C)C(=O)OC2CCN(CCCNS(C)(=O)=O)CC2)n1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.38

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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 15)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 2/20 0.35
HRH1 known ✓ P35367 2/20 0.35
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM3 P20309 12/20 0.36
KCNH2 Q12809 2/20 0.35

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 SCHEMBL7401568 0.95 CARM1 (0.41) CARM1PRMT6KMT2AALDH1A1MEN1
Maleic Acid SCHEMBL8016002 0.87 CARM1 (0.40) CARM1PRMT6KMT2AALDH1A1MEN1
Maleic Acid SCHEMBL8006649 0.87 KDM1A (0.38) CARM1PRMT6KMT2AALDH1A1GMNN
Maleic Acid SCHEMBL8018622 0.87 CARM1 (0.39) CARM1PRMT6KMT2AALDH1A1MEN1
Maleic Acid SCHEMBL7398825 0.87 SMN1; SMN2 (0.35) KMT2AALDH1A1MEN1GMNNLMNA
Fumaric Acid SCHEMBL7398829 0.87 SMN1; SMN2 (0.35) KMT2AALDH1A1MEN1GMNNLMNA
Maleic Acid SCHEMBL8006695 0.86 MEN1 (0.39) CARM1PRMT6KMT2AMEN1LMNA
SCHEMBL8123035 0.85 CHRM3 (0.39) CARM1PRMT6CHRM3ADRB2
SCHEMBL7399420 0.82 HTT (0.37) KMT2AALDH1A1MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL8122956 0.82 CARM1 (0.41) CARM1PRMT6KMT2AMEN1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972773-A1 2-Oxadiazolyl- or 2-thiadiazolyl-phenylcarbamate and -phenylurea derivatives, their preparation and their use as intermediates GLAXO GROUP LIMITED (GB) 2000-01-19 EP disclosed
EP-0640081-B1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT4 ANTAGONISTS GLAXO GROUP LTD (GB) 2000-01-12 EP disclosed