SCHEMBL2223308

SCHEMBL2223308

CC(C)(CC(CCc1noc(C(F)(F)F)n1)C(N)=O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 13/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC6 Q9UBN7 7/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL2221954 0.89 HDAC1 (0.33) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2224109 0.86 HDAC4 (0.40) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2224057 0.84 HDAC4 (0.46) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2221985 0.81 HDAC4 (0.44) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2221125 0.81 HDAC4 (0.38) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2221808 0.79 HDAC8 (0.37) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2221319 0.78 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2223332 0.77 HDAC4 (0.36) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2222138 0.77 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2223878 0.77 HDAC4 (0.37) HDAC4HDAC7HDAC5HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO claimed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP claimed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed