Maleic Acid

Maleic Acid

SCHEMBL6960299

COc1ccc(C(=O)Nc2nc(C(=O)NCCN3CCCC3)cs2)cc1OC.O=C(O)/C=C\C(=O)O

nearest known ligand 0.55

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
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 3/20 0.51
SLC5A7 Q9GZV3 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
NOX1 Q9Y5S8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
F10 P00742 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
TLR8 Q9NR97 1/20 0.45
GAA P10253 1/20 0.45
ACHE P22303 2/20 0.44

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 SCHEMBL6960310 1.00 LMNA (0.55) LMNANPSR1HSD17B10KMT2ASLC5A7
Hydrochloric Acid SCHEMBL6970908 0.93 LMNA (0.59) LMNANPSR1HSD17B10KMT2ASLC5A7
Fumaric Acid SCHEMBL6969703 0.93 LMNA (0.53) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Maleic Acid SCHEMBL6969690 0.93 LMNA (0.53) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6974987 0.88 LMNA (0.59) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6969439 0.88 LMNA (0.59) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL6960304 0.87 NPSR1 (0.56) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Maleic Acid SCHEMBL6971412 0.85 NPSR1 (0.58) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL6971425 0.85 NPSR1 (0.58) LMNANPSR1HSD17B10KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL6969916 0.84 LMNA (0.59) LMNANPSR1HSD17B10KMT2ASMN1; SMN2

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