SCHEMBL2221985

SCHEMBL2221985

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC6 Q9UBN7 7/20 0.35
PDE4B Q07343 1/20 0.33
LMNA P02545 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
SCHEMBL2221319 0.82 HDAC4 (0.53) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2223308 0.81 HDAC4 (0.43) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2224093 0.78 HDAC8 (0.37) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2222138 0.78 HDAC4 (0.53) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2221029 0.78 HDAC1 (0.37) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2224109 0.76 HDAC4 (0.40) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2354587 0.74 HDAC4 (0.45) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL14603623 0.72 HDAC4 (0.51) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL2224057 0.72 HDAC4 (0.46) HDAC4HDAC1HDAC8HDAC7HDAC5
SCHEMBL14918288 0.71 HDAC4 (0.36) HDAC4HDAC1HDAC8HDAC5HDAC6

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
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 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