SCHEMBL838751

SCHEMBL838751

CCn1c(=O)n(CCO)c(=O)n(CCO)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.41
GSK3A P49840 4/20 0.41
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
ADORA2A P29274 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2B P29275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL35878 0.87 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL17366353 0.86 PDE4A (0.35) GSK3BGSK3APDE4APDE4BPDE4C
SCHEMBL20738815 0.85 PDE4A (0.53) GSK3BGSK3APDE4APDE4BPDE4C
SCHEMBL13917311 0.85 PDE4A (0.53) GSK3BGSK3APDE4APDE4BPDE4C
SCHEMBL5178897 0.84 CYP3A4 (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21301512 0.84 PLA2G4A (0.35) GSK3BGSK3APDE4APDE4BPDE4C
SCHEMBL2730449 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHSD17B10
Formaldehyde SCHEMBL8709282 0.81 CYP3A4 (0.38) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL2446004 0.81 GSK3B (0.48) GSK3BGSK3APDE4APDE4BPDE4C
SCHEMBL23020227 0.79 GSK3A (0.50) GSK3BGSK3APDE4APDE4BPDE4C

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
US-20230250362-A1 METHOD OF LAUNDERING FABRIC THE PROCTER & GAMBLE COMPANY 2023-08-10 US disclosed
US-20230250361-A1 METHOD OF LAUNDERING FABRIC THE PROCTER & GAMBLE COMPANY 2023-08-10 US disclosed
US-8142978-B2 Planographic printing plate precursor and printing method using the same FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed