SCHEMBL8319231

SCHEMBL8319231

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(oc12)CC(C)CC3

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.58
PDE4B Q07343 18/20 0.58
PDE4A P27815 17/20 0.58
PDE4C Q08493 17/20 0.58
GFER P55789 1/20 0.46

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
SCHEMBL8325303 0.87 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL8319816 0.86 PDE4D (0.63) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL8324954 0.84 PDE4A (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL8325509 0.84 GAA (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL8264976 0.83 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL85012 0.82 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CGFER
Hydrochloric Acid SCHEMBL74596 0.82 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL15016191 0.81 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL84499 0.81 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER
Hydrochloric Acid SCHEMBL74285 0.81 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER

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-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed