SCHEMBL2593941

SCHEMBL2593941

COc1ccc(-c2cccc3c2COC3=O)c(OC[C]2CC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
ACHE P22303 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36

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
SCHEMBL2588301 0.88 PDE4D (0.45) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL2584001 0.84 PDE4D (0.41) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL14735825 0.84 HDAC4 (0.42) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL14734816 0.83 ALDH1A1 (0.58) PDE4DKDM4EALDH1A1HPGDHDAC4
SCHEMBL14734794 0.83 HPGD (0.45) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL17599605 0.83 PDE4D (0.45) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL2591613 0.82 MAOB (0.39) PDE4DKDM4ELMNAMAOB
SCHEMBL2583912 0.82 HDAC4 (0.41) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL14737971 0.81 KMT2A (0.40) PDE4DKDM4ELMNAMAOBALDH1A1
SCHEMBL2588602 0.81 CLK4 (0.40) KDM4EALDH1A1HPGDHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
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