Maleic Acid

Maleic Acid

SCHEMBL6976490

COc1cc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c(OC)cc1O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.64

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
ACHE P22303 2/20 0.64
MAPK1 P28482 2/20 0.41
MAPKAPK2 P49137 2/20 0.41
MAP2K1 Q02750 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MCHR1 Q99705 3/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AMY1A P0DUB6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 2/20 0.37
UHRF1 Q96T88 1/20 0.37
SMARCA2 P51531 1/20 0.37
MME P08473 1/20 0.37

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 SCHEMBL6976522 1.00 ACHE (0.64) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Maleic Acid SCHEMBL6974397 0.94 ACHE (0.61) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Fumaric Acid SCHEMBL6974412 0.94 ACHE (0.61) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Maleic Acid SCHEMBL6976912 0.91 ACHE (0.79) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Fumaric Acid SCHEMBL6976944 0.91 ACHE (0.79) ACHEMAPK1MAPKAPK2MAP2K1HPGD
SCHEMBL6967849 0.88 ACHE (0.80) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Maleic Acid SCHEMBL6963772 0.87 ACHE (0.73) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Fumaric Acid SCHEMBL6963801 0.87 ACHE (0.73) ACHEMAPK1MAPKAPK2MAP2K1HPGD
Fumaric Acid SCHEMBL6967884 0.87 ACHE (0.54) ACHEMAPK1MAPKAPK2MAP2K1LMNA
Maleic Acid SCHEMBL6968570 0.87 ACHE (0.54) ACHEHPGDTSHRMCHR1LMNA

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