SCHEMBL1547564

SCHEMBL1547564

CCOC(=O)N1CCCC2(CC1)CC(=O)c1cc(C=CC(=O)OC)ccc1O2

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.82
HDAC4 P56524 18/20 0.82
HDAC1 Q13547 18/20 0.82
HDAC7 Q8WUI4 18/20 0.82
HDAC2 Q92769 18/20 0.82
HDAC10 Q969S8 18/20 0.82
HDAC11 Q96DB2 18/20 0.82
HDAC8 Q9BY41 18/20 0.82
HDAC6 Q9UBN7 18/20 0.82
HDAC9 Q9UKV0 18/20 0.82
HDAC5 Q9UQL6 18/20 0.82
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1547210 1.00 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547333 0.94 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547331 0.94 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547187 0.91 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546910 0.91 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547158 0.90 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547252 0.89 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176250 0.89 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176246 0.89 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547249 0.89 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2311840-A1 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.r.l. (IT) 2011-04-20 EP disclosed