SCHEMBL2223332

SCHEMBL2223332

CN1CCC(CC(CCc2noc(C(F)(F)F)n2)C(N)=O)(c2coc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.36
HDAC6 Q9UBN7 8/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL2223818 0.82 HDAC1 (0.35) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL2224060 0.80 HDAC4 (0.38) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL2224057 0.79 HDAC4 (0.46) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL14603750 0.79 HDAC4 (0.37) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL2223308 0.77 HDAC4 (0.43) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL2221125 0.76 HDAC4 (0.38) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL2220914 0.72 SIGMAR1 (0.40)
SCHEMBL6977627 0.71 HDAC4 (0.63) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL2223878 0.70 HDAC4 (0.37) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL2222441 0.69 HDAC4 (0.37) HDAC4HDAC6HDAC8HDAC1HDAC7

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