SCHEMBL14734749

SCHEMBL14734749

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAOB P27338 4/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL2593047 0.91 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2591497 0.88 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737087 0.88 PDE4D (0.41) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2592244 0.87 PDE4D (0.40) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737202 0.87 PDE4D (0.43) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737352 0.86 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14738673 0.86 PDE4D (0.43) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14736739 0.86 PDE4D (0.43) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2587604 0.86 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737217 0.86 PDE4D (0.43) PDE4DHDAC4HDAC2HDAC8MAOB

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-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed