SCHEMBL16409770

SCHEMBL16409770

CCCCOC(=O)CCCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.69
HDAC4 P56524 3/20 0.69
HDAC1 Q13547 3/20 0.69
HDAC2 Q92769 3/20 0.69
HDAC8 Q9BY41 3/20 0.69
HDAC6 Q9UBN7 3/20 0.69
HDAC9 Q9UKV0 3/20 0.69
EPHX2 P34913 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CRBN Q96SW2 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
KIF11 P52732 1/20 0.43
ROCK2 O75116 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE3B Q13370 2/20 0.43

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
SCHEMBL16409814 0.84 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16398143 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL11603568 0.82 PDE3B (0.57) CYP3A4CYP2C9ALDH1A1SMN1; SMN2PDE3B
SCHEMBL16409848 0.82 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16409843 0.82 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16409825 0.82 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16409824 0.81 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16409769 0.80 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL11283742 0.80 PDE3B (0.58) CYP3A4CYP2C9ALDH1A1SMN1; SMN2PDE3B
SCHEMBL16409816 0.80 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC2HDAC8

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-2014196328-A1 HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 日本理化学工業株式会社 (JP) 2014-12-11 WO disclosed