SCHEMBL7676090

SCHEMBL7676090

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2oc(C3(C)OCCO3)nc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.55
PDE4A P27815 19/20 0.55
PDE4B Q07343 19/20 0.55
PDE4C Q08493 19/20 0.55
PDE11A Q9HCR9 1/20 0.51

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
SCHEMBL8344275 0.82 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6958267 0.79 ALDH1A1 (0.37) PDE4B
SCHEMBL6950190 0.79 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL3471216 0.79 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6953997 0.74 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8311511 0.72 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6833145 0.72 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL6963861 0.72 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8269400 0.71 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4700850 0.71 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A

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
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US claimed