SCHEMBL30278202

SCHEMBL30278202

COc1cc([N+](=O)[O-])c(C(N)=O)cc1O[C@H]1CCOC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.50
PDE4A P27815 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4C Q08493 7/20 0.50
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL24735735 1.00 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL28868059 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL28868061 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL24735680 0.89 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL29186623 0.85 CYP3A4 (0.40) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL29186624 0.85 CYP3A4 (0.40) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL30278221 0.83 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL24735664 0.83 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL28945888 0.82 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL348156 0.81 LMNA (0.57) HTTPOLBLMNA

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
WO-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed