SCHEMBL7339568

SCHEMBL7339568

COc1c[n+]([O-])c(C(=O)Nc2c(Cl)cncc2Cl)cc1O[C@@H]1CC[C@@H](O)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.52
PDE4B Q07343 16/20 0.52
PDE4A P27815 15/20 0.52
PDE4C Q08493 15/20 0.52
GFER P55789 1/20 0.40
CYP2B6 P20813 1/20 0.38

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
SCHEMBL7533270 0.89 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CGFER
Water SCHEMBL87680 0.89 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CGFER
Water SCHEMBL87681 0.89 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7363212 0.85 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7338575 0.82 PDE4B (0.58) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7338594 0.82 PDE4B (0.58) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7338582 0.82 PDE4B (0.58) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL72320 0.81 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7338627 0.81 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7338639 0.81 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CCYP2B6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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