SCHEMBL8258562

SCHEMBL8258562

COC(=O)[C@@H]1Cc2ccc(cc2)O/C=C\COc2ccc(cc2)C[C@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PSMB5 P28074 2/20 0.38
TMPRSS2 O15393 7/20 0.38
HPN P05981 7/20 0.38
ST14 Q9Y5Y6 7/20 0.38
F2 P00734 6/20 0.38
HGFAC Q04756 5/20 0.38
PLG P00747 1/20 0.36
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34

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
SCHEMBL12214895 0.95 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214852 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12214847 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2185622 0.91 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2700971 0.86 F2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2700973 0.86 F2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12238532 0.85 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14627993 0.83 TMPRSS2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14847454 0.82 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8253396 0.82 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 WO disclosed