SCHEMBL2224737

SCHEMBL2224737

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4B Q07343 3/20 0.35
PDE4D Q08499 1/20 0.35
ADCY1 Q08828 2/20 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
SCHEMBL2224739 0.76 HDAC8 (0.39) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2224731 0.75 HDAC8 (0.38) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2222405 0.75 HDAC1 (0.42) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2266329 0.74 GAA (0.40) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2223339 0.73 HDAC8 (0.43) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2229660 0.70 NPC1 (0.44) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2222335 0.70 HDAC8 (0.44) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2222261 0.70 NPC1 (0.44) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2222200 0.69 HDAC8 (0.50) HDAC8HDAC1HDAC6LMNAGAA
SCHEMBL2224728 0.69 HDAC1 (0.38) HDAC8HDAC1HDAC6LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed