SCHEMBL2221029

SCHEMBL2221029

CC(CCC(N)=NO)(CCC(C)(C)c1coc(-c2ccc(F)cc2)n1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.35
PDE4B Q07343 3/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2224093 0.83 HDAC8 (0.37) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2275217 0.82 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2275210 0.82 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL12517097 0.82 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2267431 0.78 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL12518546 0.78 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2267435 0.78 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL2221985 0.78 HDAC4 (0.44) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL14243877 0.75 HDAC1 (0.34) HDAC1HDAC8HDAC6LMNAPDE4B
SCHEMBL12518796 0.75 HDAC1 (0.34) HDAC1HDAC8HDAC6LMNAPDE4B

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