SCHEMBL14734712

SCHEMBL14734712

COc1ccc(-c2cccc3c2COC3=O)c(OC2(C(=O)O)CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.44
PDE4D Q08499 4/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAOB P27338 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
IMPDH2 P12268 1/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ABCB1 P08183 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G1B P04054 1/20 0.35
MAPT P10636 1/20 0.35
ATG4B Q9Y4P1 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
SCHEMBL14737718 0.90 KDM4E (0.41) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL2588133 0.87 PDE4D (0.42) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL2591942 0.87 PDE4D (0.43) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL2593102 0.86 PDE4D (0.46) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL14737337 0.86 PDE4D (0.46) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL14736730 0.85 PDE4D (0.44) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL2584132 0.84 PDE4D (0.44) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL2583558 0.83 PDE4D (0.38) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL14737512 0.83 PDE4D (0.45) KDM4ELMNAPDE4DHDAC4HDAC2
SCHEMBL14737436 0.83 PDE4D (0.46) KDM4ELMNAPDE4DHDAC4HDAC2

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