SCHEMBL7474591

SCHEMBL7474591

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(CO)c1C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.60
PDE4B Q07343 17/20 0.60
PDE4A P27815 16/20 0.60
PDE4C Q08493 16/20 0.60
GFER P55789 1/20 0.50

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
SCHEMBL7425565 0.91 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL6943421 0.75 PDE4D (0.69) PDE4DPDE4BPDE4APDE4C
SCHEMBL1552878 0.75 PDE4D (0.86) PDE4DPDE4BPDE4APDE4C
SCHEMBL1553543 0.75 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
SCHEMBL1553355 0.75 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
SCHEMBL720382 0.73 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL4126031 0.73 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL5723082 0.71 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL6836687 0.71 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL6833314 0.71 PDE4D (0.62) 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-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed