SCHEMBL2594344

SCHEMBL2594344

CCCOC(=O)C1(COc2c(C(=O)c3cccc4c3COC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
BAP1 Q92560 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 2/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL14737202 0.88 PDE4D (0.43) PDE4DL3MBTL1ALDH1A1HPGDCASP1
SCHEMBL2588005 0.86 PDE4D (0.42) PDE4DL3MBTL1ALDH1A1HPGDCASP1
SCHEMBL2585452 0.86 PDE4D (0.38) PDE4DMAOBMEN1KMT2A
SCHEMBL2591497 0.81 PDE4D (0.41) PDE4DL3MBTL1MAOBMEN1KMT2A
SCHEMBL2591854 0.79 PDE4D (0.40) PDE4DL3MBTL1MAOBMEN1KMT2A
SCHEMBL2588531 0.79 PDE4D (0.37) PDE4DL3MBTL1MAOBMEN1KMT2A
SCHEMBL2593499 0.78 PDE4D (0.55) PDE4D
SCHEMBL2593047 0.77 PDE4D (0.41) PDE4DMAOBMEN1KMT2AKDM4E
SCHEMBL2593496 0.77 PDE4D (0.36) PDE4DL3MBTL1MAOBKDM4ELMNA
SCHEMBL14736739 0.77 PDE4D (0.43) PDE4DMAOBKDM4ELMNA

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