SCHEMBL7340488

SCHEMBL7340488

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCC1CCCC1O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.65
PDE4D Q08499 15/20 0.65
PDE4A P27815 6/20 0.65
PDE4C Q08493 6/20 0.65
CYP2B6 P20813 1/20 0.62
ABCB11 O95342 1/20 0.58

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
SCHEMBL7340497 1.00 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7352724 0.86 PDE4B (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7359780 0.86 PDE4B (0.76) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7361164 0.81 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL985307 0.81 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL15270505 0.80 PDE4D (1.00) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7353387 0.80 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CCYP2B6
Piclamilast SCHEMBL26573 0.79 PDE4D (1.00) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL7355308 0.79 PDE4D (0.73) PDE4BPDE4DPDE4APDE4CCYP2B6
SCHEMBL6878175 0.79 PDE4B (0.85) PDE4BPDE4DPDE4APDE4CCYP2B6

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