Maleic Acid

Maleic Acid

SCHEMBL6965801

COc1cc(OC)c(OC)c(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.54

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
PDE5A O76074 1/20 0.54
ACHE P22303 2/20 0.53
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.40
MAPKAPK2 P49137 2/20 0.40
MAP2K1 Q02750 1/20 0.40
PTK2 Q05397 2/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAD52 P43351 2/20 0.36
UHRF1 Q96T88 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.36
SMARCA2 P51531 1/20 0.36

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
Fumaric Acid SCHEMBL6965810 1.00 PDE5A (0.54) PDE5AACHEHPGDTSHRMAPK1
Maleic Acid SCHEMBL6962604 0.89 ACHE (0.51) PDE5AACHEHPGDTSHRMAPK1
Fumaric Acid SCHEMBL6962611 0.89 ACHE (0.51) PDE5AACHEHPGDTSHRMAPK1
Fumaric Acid SCHEMBL6967884 0.89 ACHE (0.54) PDE5AACHEMAPK1MAPKAPK2MAP2K1
Maleic Acid SCHEMBL6967869 0.89 ACHE (0.54) PDE5AACHEMAPK1MAPKAPK2MAP2K1
Fumaric Acid SCHEMBL6968582 0.89 ACHE (0.54) ACHEHPGDTSHRLMNANPSR1
Maleic Acid SCHEMBL6968570 0.89 ACHE (0.54) ACHEHPGDTSHRLMNANPSR1
Fumaric Acid SCHEMBL6963773 0.88 HPGD (0.58) ACHEHPGDTSHRMAPK1MAPKAPK2
Fumaric Acid SCHEMBL6963761 0.88 HPGD (0.58) ACHEHPGDTSHRMAPK1MAPKAPK2
Maleic Acid SCHEMBL6964004 0.87 ACHE (0.51) ACHEHPGDTSHRMAPK1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed