SCHEMBL29895375

SCHEMBL29895375

COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)[C@@H](C)O)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.50
RORC P51449 6/20 0.47
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL19241609 1.00 PDE4B (0.50) PDE4BRORCTLR9TLR7PDE4A
SCHEMBL17559322 0.89 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL20429666 0.87 PDE4B (0.48) PDE4BRORCTLR9TLR7PDE4A
SCHEMBL14611594 0.87 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL17570890 0.86 PDE4B (0.49) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL14611749 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL14611750 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL14611752 0.85 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL14611601 0.85 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL17570891 0.84 PDE4B (0.47) PDE4BRORCPDE4APDE4CPDE4D

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-107001327-B Crystal and pharmaceutical composition and application thereof 伊莱利利公司 2022-09-02 CN disclosed