SCHEMBL2224093

SCHEMBL2224093

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.35
PDE4B Q07343 3/20 0.34
PDE4D Q08499 1/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
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
LGMN Q99538 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 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
SCHEMBL2221029 0.83 HDAC1 (0.37) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2267220 0.80 HDAC8 (0.42) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2221808 0.79 HDAC8 (0.37) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2221985 0.78 HDAC4 (0.44) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2274396 0.75 HDAC8 (0.41) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2224682 0.73 MAOA (0.36) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2223392 0.72 HDAC1 (0.41) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2271369 0.71 ALDH1A1 (0.36) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2222160 0.70 HDAC1 (0.41) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222330 0.68 HDAC1 (0.46) HDAC8HDAC1HDAC6LMNAPDE4B

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