SCHEMBL2223073

SCHEMBL2223073

CC(C)(CC(CCC(N)=O)c1ccc(C(=O)C(F)(F)F)s1)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.40
HDAC1 Q13547 13/20 0.40
HDAC4 P56524 12/20 0.40
LMNA P02545 1/20 0.33
HDAC8 Q9BY41 4/20 0.32
HDAC3 O15379 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
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
SCHEMBL2221120 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC4LMNAHDAC8
SCHEMBL2269229 0.79 HDAC6 (0.40) HDAC6HDAC1HDAC4
SCHEMBL14243906 0.73 HDAC1 (0.41) HDAC6HDAC1HDAC4LMNAHDAC8
SCHEMBL2274422 0.73 HDAC6 (0.42) HDAC6HDAC1HDAC4HDAC8
SCHEMBL2227818 0.69 HDAC1 (0.58) HDAC6HDAC1HDAC4HDAC8HDAC3
SCHEMBL2221808 0.69 HDAC8 (0.37) HDAC6HDAC1HDAC4LMNAHDAC8
SCHEMBL2224975 0.68 HDAC1 (0.47) HDAC6HDAC1HDAC4HDAC8HDAC3
SCHEMBL14297309 0.67 HPGD (0.39) HDAC6HDAC1HDAC4LMNAHDAC8
SCHEMBL2223392 0.66 HDAC1 (0.41) HDAC6HDAC1HDAC4LMNAHDAC8
SCHEMBL2221964 0.66 HDAC6 (0.41) HDAC6HDAC1HDAC4HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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