Maleic Acid

Maleic Acid

SCHEMBL7401568

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

nearest known ligand 0.41

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
HTR4 known ✓ Q13639 4/20 0.36
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KDM1A O60341 1/20 0.37
PMP22 Q01453 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACKR3 P25106 1/20 0.35
CHRM3 P20309 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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 SCHEMBL8015447 0.95 CARM1 (0.38) CARM1PRMT6PMP22KMT2ACHRM3
Maleic Acid SCHEMBL8016002 0.92 CARM1 (0.40) CARM1PRMT6KDM1AHTR4PMP22
Maleic Acid SCHEMBL8018622 0.91 CARM1 (0.39) CARM1PRMT6KDM1AHTR4PMP22
Maleic Acid SCHEMBL8006695 0.90 MEN1 (0.39) CARM1PRMT6PMP22KMT2ACYP2C9
SCHEMBL8123035 0.89 CHRM3 (0.39) CARM1PRMT6KDM1ACHRM3
Maleic Acid SCHEMBL8006649 0.88 KDM1A (0.38) CARM1PRMT6KDM1APMP22KMT2A
Hydrochloric Acid SCHEMBL8122956 0.86 CARM1 (0.41) CARM1PRMT6KDM1AHTR4PMP22
SCHEMBL7397208 0.84 KDM1A (0.41) CARM1PRMT6KDM1AHTR4PMP22
Hydrochloric Acid SCHEMBL7435681 0.83 KDM1A (0.40) CARM1PRMT6KDM1AHTR4PMP22
Maleic Acid SCHEMBL7398825 0.82 SMN1; SMN2 (0.35) HTR4PMP22KMT2ACYP1A2CYP2C9

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 5 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
US-5618827-A TREATING GASTROINTESTINAL, URINARY, CARDIOVASCULAR, CENTRAL NERVOUS SYTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-04-08 US disclosed
EP-0640081-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-01 EP disclosed
WO-1993020071-A1 SUBSTITUTED PHENYLCARBAMATES AND PHENYLUREAS, THEIR PREPARATION AND THEIR USE AS 5-HT ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-10-14 WO disclosed