Maleic Acid

Maleic Acid

SCHEMBL6973815

COc1cccc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c1O.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
ACHE P22303 2/20 0.54
RAD52 P43351 4/20 0.45
SMARCA2 P51531 1/20 0.45
MME P08473 1/20 0.44
MAPK1 P28482 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAP2K1 Q02750 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
KLKB1 P03952 1/20 0.39
UHRF1 Q96T88 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.39
FYN P06241 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 SCHEMBL6973849 1.00 ACHE (0.54) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6967317 0.93 ACHE (0.54) ACHERAD52SMARCA2MMEKDM4E
Fumaric Acid SCHEMBL6967326 0.93 ACHE (0.54) ACHERAD52SMARCA2MMEKDM4E
Fumaric Acid SCHEMBL6964014 0.92 ACHE (0.51) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6964004 0.92 ACHE (0.51) ACHERAD52SMARCA2MMEMAPK1
Fumaric Acid SCHEMBL6975157 0.90 KDM4E (0.51) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6975142 0.90 KDM4E (0.51) ACHERAD52SMARCA2MMEMAPK1
Fumaric Acid SCHEMBL6974412 0.86 ACHE (0.61) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6974397 0.86 ACHE (0.61) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6976490 0.86 ACHE (0.64) ACHERAD52SMARCA2MMEMAPK1

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