SCHEMBL24735680

SCHEMBL24735680

COC(=O)c1cc(OC2CCOC2)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.47
PDE4A P27815 7/20 0.47
PDE4B Q07343 7/20 0.47
PDE4C Q08493 7/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE5A O76074 1/20 0.43

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
SCHEMBL28868059 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL28868061 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL30278202 0.89 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL24735735 0.89 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL31739509 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL24735855 0.82 KDM4E (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL24735678 0.82 KDM4E (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL29940033 0.82 KDM4E (0.61) PDE4DPDE4APDE4BPDE4C
SCHEMBL24735739 0.81 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL24735738 0.81 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMEN1

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