SCHEMBL7338594

SCHEMBL7338594

COc1cnc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@H]1CC[C@H](O)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.58
PDE4D Q08499 14/20 0.58
PDE4A P27815 12/20 0.58
PDE4C Q08493 12/20 0.58
GFER P55789 1/20 0.44
CYP2B6 P20813 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL7338582 1.00 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7338575 1.00 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL72555 0.88 PDE4D (0.73) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7338627 0.85 PDE4D (0.79) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7335660 0.85 PDE4D (0.79) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7335658 0.85 PDE4D (0.79) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7338639 0.85 PDE4D (0.79) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7358102 0.83 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL71596 0.83 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CGFER
SCHEMBL7339568 0.82 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CGFER

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-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 WO disclosed