Maleic Acid

Maleic Acid

SCHEMBL8006695

Cc1noc(-c2ccc(F)cc2N(C)C(=O)OC2CCN(CCNS(C)(=O)=O)CC2)n1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.39

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
DRD2 known ✓ P14416 3/20 0.35
HTR2A known ✓ P28223 3/20 0.35
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACKR3 P25106 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
OPRK1 P41145 3/20 0.36
HTR7 P34969 3/20 0.35
HTR6 P50406 3/20 0.35
KCNH2 Q12809 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
GSK3B P49841 1/20 0.34
CHRM3 P20309 1/20 0.33

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 0.90 CARM1 (0.41) MEN1LMNACYP2C9PMP22KMT2A
Maleic Acid SCHEMBL7398561 0.88 MEN1 (0.37) MEN1LMNACYP3A4CYP2C9PMP22
Fumaric Acid SCHEMBL7398568 0.88 MEN1 (0.37) MEN1LMNACYP3A4CYP2C9PMP22
Maleic Acid SCHEMBL8015447 0.86 CARM1 (0.38) MEN1LMNAPMP22KMT2ACARM1
SCHEMBL7397138 0.83 CYP2C9 (0.39) MEN1LMNACYP3A4CYP2C9PMP22
Maleic Acid SCHEMBL8016002 0.82 CARM1 (0.40) MEN1LMNACYP2C9PMP22KMT2A
Maleic Acid SCHEMBL8018622 0.82 CARM1 (0.39) MEN1LMNACYP2C9PMP22KMT2A
SCHEMBL8123035 0.80 CHRM3 (0.39) CARM1PRMT6CHRM3
Maleic Acid SCHEMBL8006649 0.79 KDM1A (0.38) LMNAPMP22KMT2AACKR3CARM1
Hydrochloric Acid SCHEMBL8122956 0.77 CARM1 (0.41) MEN1CYP2C9PMP22KMT2ANPSR1

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