SCHEMBL726264

SCHEMBL726264

C=C(C)C1(c2ccc(OC)c(OC3CCCC3)c2)CC(=O)N(C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.54
PDE4A P27815 16/20 0.54
PDE4C Q08493 16/20 0.54
PDE4D Q08499 16/20 0.54

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
SCHEMBL724780 0.82 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL19459388 0.82 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL7420740 0.73 PDE4A (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416733 0.70 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL6323001 0.70 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL6322447 0.70 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL6322995 0.70 PDE4B (0.74) PDE4BPDE4APDE4CPDE4D
SCHEMBL7360492 0.69 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL7919785 0.69 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL16774566 0.69 PDE4A (0.72) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609064-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES Neonc Technologies Inc. (US) 2013-07-03 EP claimed
WO-2012027693-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES NEONC TECHNOLOGIES INC. (US) 2012-03-01 WO claimed
EP-2609064-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES Neonc Technologies Inc. (US) 2013-07-03 EP disclosed
WO-2012027693-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES NEONC TECHNOLOGIES INC. (US) 2012-03-01 WO disclosed