SCHEMBL7710896

SCHEMBL7710896

CCCCOc1c(OC)ccc(-c2ccc3c(c2)COC3=O)c1OCC1(C)COC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.45
PRF1 P14222 3/20 0.43
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2589628 0.91 PRF1 (0.45) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL2593953 0.86 PDE4D (0.42) PDE4DPRF1CYP3A4
SCHEMBL7708080 0.86 PRF1 (0.41) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL2591930 0.85 PRF1 (0.39) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL7706052 0.82 PRF1 (0.39) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL2584164 0.81 PRF1 (0.49) PDE4DPRF1CYP3A4KDM4ELMNA
SCHEMBL2591212 0.80 PRF1 (0.44) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL2584274 0.80 PRF1 (0.42) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL2591559 0.79 PDE4D (0.41) PDE4DPRF1CYP3A4PDE4APDE4B
SCHEMBL2588578 0.79 PRF1 (0.43) PDE4DPRF1CYP3A4PDE4APDE4B

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-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed