SCHEMBL2585452

SCHEMBL2585452

COc1ccc(C(=O)c2cccc3c2COC3=O)c(OCC2(C(=O)OC3CCC3)CC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.32
MAOB P27338 2/20 0.32
DRD3 P35462 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14737217 0.90 PDE4D (0.43) PDE4DTP53MAOB
SCHEMBL14738673 0.88 PDE4D (0.43) PDE4DTP53MAOB
SCHEMBL2591715 0.87 PDE4D (0.44) PDE4DTP53MAOB
SCHEMBL2589772 0.87 PDE4D (0.43) PDE4DTP53MAOB
SCHEMBL2589438 0.87 PDE4D (0.44) PDE4DTP53MAOB
SCHEMBL2594344 0.86 PDE4D (0.38) PDE4DMEN1KMT2AMAOB
SCHEMBL2592376 0.85 PDE4D (0.43) PDE4DTP53MAOB
SCHEMBL14737568 0.85 PDE4D (0.43) PDE4DTP53MAOB
SCHEMBL2584140 0.85 PDE4D (0.43) PDE4DTP53MAOB
SCHEMBL14737147 0.84 PDE4D (0.44) PDE4DMAOB

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
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed