SCHEMBL2127694

SCHEMBL2127694

CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(C=CC(=O)O)cc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.62
HDAC3 O15379 18/20 0.62
HDAC4 P56524 18/20 0.62
HDAC7 Q8WUI4 18/20 0.62
HDAC2 Q92769 18/20 0.62
HDAC10 Q969S8 18/20 0.62
HDAC11 Q96DB2 18/20 0.62
HDAC8 Q9BY41 18/20 0.62
HDAC6 Q9UBN7 18/20 0.62
HDAC9 Q9UKV0 18/20 0.62
HDAC5 Q9UQL6 18/20 0.62
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2127689 1.00 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2127215 0.90 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2129395 0.90 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2127302 0.87 HDAC3 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2127296 0.87 HDAC3 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2128018 0.86 HDAC3 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2128023 0.86 HDAC3 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1176485 0.85 HDAC3 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1176487 0.85 HDAC3 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1175840 0.84 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592444-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2013-11-26 US disclosed
EP-2279187-B9 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-12-12 EP disclosed
EP-2279187-B1 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-04-25 EP disclosed
EP-2110377-A1 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.r.l. (IT) 2009-10-21 EP disclosed