Maleic Acid

Maleic Acid

SCHEMBL8940065

CC1Cc2cccc(C(=O)NC3CC4CCC(C3)N4Cc3ccccc3)c2O1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.60

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 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
OPRK1 P41145 2/20 0.48
CYP2D6 P10635 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL8940010 0.95 L3MBTL1 (0.61) L3MBTL1KMT2AMEN1OPRK1
SCHEMBL8939959 0.81 PARP1 (0.53) KMT2AMEN1
Hydrochloric Acid SCHEMBL9204228 0.80 PARP1 (0.52) KMT2AMEN1
SCHEMBL8939997 0.78 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1OPRK1
Tropapride SCHEMBL2110411 0.71 DRD3 (0.79) L3MBTL1
SCHEMBL16250460 0.70 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1CYP2D6
SCHEMBL3595934 0.70 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1CYP2D6
SCHEMBL15249477 0.70 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1CYP2D6
SCHEMBL1886766 0.70 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1CYP2D6
SCHEMBL3595931 0.70 KMT2A (0.78) L3MBTL1KMT2AMEN1OPRK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563148-A BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed