SCHEMBL1547548

SCHEMBL1547548

CC(C)N1CCCC2(CC(=O)c3cc(C=CC(=O)NO)ccc3O2)C1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.78
HDAC4 P56524 20/20 0.78
HDAC1 Q13547 20/20 0.78
HDAC7 Q8WUI4 20/20 0.78
HDAC2 Q92769 20/20 0.78
HDAC10 Q969S8 20/20 0.78
HDAC11 Q96DB2 20/20 0.78
HDAC8 Q9BY41 20/20 0.78
HDAC6 Q9UBN7 20/20 0.78
HDAC9 Q9UKV0 20/20 0.78
HDAC5 Q9UQL6 20/20 0.78

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
SCHEMBL1547351 1.00 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1547614 0.99 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1547389 0.90 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546525 0.89 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175270 0.89 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1175259 0.89 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546723 0.88 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546990 0.86 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546737 0.85 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546740 0.84 HDAC3 (1.00) 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