SCHEMBL1029622

SCHEMBL1029622

COc1ccc(C(=O)OC(=Cc2c(Cl)cncc2Cl)c2ccc(OC)c(OCC3CC3)c2)cc1OCC1CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.78
PDE4D Q08499 13/20 0.78
PDE4A P27815 11/20 0.78
PDE4C Q08493 11/20 0.78
ABCB11 O95342 1/20 0.48

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
SCHEMBL1029620 1.00 PDE4B (0.78) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1030400 0.99 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1030398 0.99 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1030952 0.92 PDE4B (0.90) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1030951 0.92 PDE4B (0.90) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1032135 0.92 PDE4B (0.90) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1032134 0.92 PDE4B (0.90) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1029821 0.88 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1029820 0.88 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL4885939 0.83 PDE4D (0.61) PDE4BPDE4DPDE4APDE4C

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
EP-2044023-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDYNYL ALKYLENE ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2011-01-19 EP disclosed