SCHEMBL14734794

SCHEMBL14734794

COc1ccc(-c2cccc3c2COC3=O)c(OCC(=O)O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MIF P14174 1/20 0.45
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4D Q08499 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
MAOB P27338 2/20 0.40
ACMSD Q8TDX5 1/20 0.38
CD69 Q07108 1/20 0.38
ATM Q13315 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL2583912 0.90 HDAC4 (0.41) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL14735825 0.90 HDAC4 (0.42) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL2588936 0.87 MEN1 (0.41) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL14737275 0.86 PDE4D (0.39) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL14736988 0.85 PDE4D (0.39) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL14736700 0.85 PDE4D (0.38) ALDH1A1HDAC4HDAC2HDAC8POLB
SCHEMBL17599631 0.85 HDAC4 (0.39) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL2588301 0.85 PDE4D (0.45) HPGDALDH1A1HDAC4HDAC2HDAC8
SCHEMBL2585728 0.84 PDE4D (0.40) HDAC4HDAC2HDAC8SMN1; SMN2KDM4E
SCHEMBL14737352 0.84 PDE4D (0.38) HPGDALDH1A1HDAC4HDAC2HDAC8

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