SCHEMBL10654447

SCHEMBL10654447

O=C(C(c1cccc(F)c1)c1cc(O)c(O)cc1O)C(c1cccc(F)c1)c1cc(O)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
IGFBP3 P17936 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.36
PARP1 P09874 1/20 0.36
NQO2 P16083 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 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
SCHEMBL10654587 0.81 HDAC3 (0.46) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL10652757 0.81 ACP3 (0.41) MEN1KMT2APARP1
SCHEMBL16559376 0.72 HDAC4 (0.62) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL10652795 0.71 LMNA (0.40) CES2CES1CNR2MEN1KMT2A
SCHEMBL11279827 0.70 CES2 (0.68) HDAC4HDAC7HDAC5IGFBP3CES2
SCHEMBL4536216 0.69 HDAC4 (1.00) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL7395276 0.68 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL23032354 0.68 HDAC4 (0.57) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL16559374 0.68 HDAC4 (0.57) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL28226456 0.68 HDAC4 (0.53) HDAC4HDAC7HDAC5CES2CES1

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-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP disclosed