Maleic Acid

Maleic Acid

SCHEMBL29618262

O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.O=C1CCc2cccnc2N1.O=C1CCc2cccnc2N1

nearest known ligand 0.48

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
CRBN Q96SW2 4/20 0.48
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL247150 0.87 CRBN (0.50) CRBNNPC1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL30515324 0.86 CRBN (0.49) CRBNNPC1MAPK13MAPK12MAPK11
SCHEMBL1093770 0.78 MAPT (0.53) CRBNNPC1MAPK13MAPK12MAPK11
SCHEMBL20073751 0.75 IDH1 (0.43) CRBN
Acetic Acid SCHEMBL4405059 0.74 GSK3B (0.49) CRBNNPC1
SCHEMBL578594 0.72 GSK3B (0.53) CRBN
SCHEMBL29499281 0.72 GSK3B (0.53) CRBN
SCHEMBL1093407 0.71
SCHEMBL1093403 0.71
SCHEMBL12315102 0.71

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
CN-109475536-B Combination of a PD-l antagonist and a RAF inhibitor for the treatment of cancer 百济神州有限公司 2022-05-27 CN disclosed