Maleic Acid

Maleic Acid

SCHEMBL6958829

COc1cc(OC)c(C(=O)Nc2nc(C(=O)NC(C)CN(C)C)cs2)cc1OC.O=C(O)/C=C\C(=O)O

nearest known ligand 0.51

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 0.51
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MME P08473 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.36
PDE5A O76074 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
Maleic Acid SCHEMBL6974397 0.84 ACHE (0.61) ACHEHSD17B10LMNANPSR1MME
Fumaric Acid SCHEMBL6974412 0.84 ACHE (0.61) ACHEHSD17B10LMNANPSR1MME
Maleic Acid SCHEMBL6969019 0.82 ACHE (0.77) ACHEHSD17B10LMNANPSR1MME
Fumaric Acid SCHEMBL6969029 0.82 ACHE (0.77) ACHEHSD17B10LMNANPSR1MME
Maleic Acid SCHEMBL6975362 0.81 ACHE (0.58) ACHEHSD17B10LMNANPSR1MME
Fumaric Acid SCHEMBL6975372 0.81 ACHE (0.58) ACHEHSD17B10LMNANPSR1MME
Fumaric Acid SCHEMBL6965819 0.79 ACHE (0.60) ACHEHSD17B10LMNANPSR1HPGD
Maleic Acid SCHEMBL6965805 0.79 ACHE (0.60) ACHEHSD17B10LMNANPSR1HPGD
Maleic Acid SCHEMBL6976490 0.78 ACHE (0.64) ACHEHSD17B10LMNANPSR1MME
Fumaric Acid SCHEMBL6976522 0.78 ACHE (0.64) ACHEHSD17B10LMNANPSR1MME

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