SCHEMBL14627993

SCHEMBL14627993

COC(=O)C[C@@H]1CC=CCOc2ccc(cc2)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 5/20 0.40
F2 P00734 5/20 0.40
HPN P05981 5/20 0.40
ST14 Q9Y5Y6 5/20 0.40
HGFAC Q04756 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CAPN2 P17655 8/20 0.37
F10 P00742 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL12214852 0.89 HDAC3 (0.48) TMPRSS2F2HPNST14HGFAC
SCHEMBL2185622 0.89 HDAC3 (0.48) TMPRSS2F2HPNST14HGFAC
SCHEMBL12214847 0.89 HDAC3 (0.48) TMPRSS2F2HPNST14HGFAC
SCHEMBL14627996 0.89 TMPRSS2 (0.41) TMPRSS2F2HPNST14HGFAC
SCHEMBL2700971 0.88 F2 (0.44) TMPRSS2F2HPNST14HGFAC
SCHEMBL2700973 0.88 F2 (0.44) TMPRSS2F2HPNST14HGFAC
SCHEMBL12214895 0.88 HDAC3 (0.52) TMPRSS2F2HPNST14HGFAC
SCHEMBL14628057 0.87 HDAC3 (0.42) TMPRSS2F2HPNST14HGFAC
SCHEMBL8258562 0.83 HDAC3 (0.49) TMPRSS2F2HPNST14HGFAC
SCHEMBL12214918 0.78 HDAC3 (0.46) TMPRSS2F2HPNST14HGFAC

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
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed