SCHEMBL8143459

SCHEMBL8143459

CC(C)CC(NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](Cc1cscn1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRL P40313 10/20 0.74
TMPRSS11D O60235 3/20 0.68
PSMB5 P28074 9/20 0.68
PSMB8 P28062 4/20 0.49
PSMB11 A5LHX3 2/20 0.49
PSMA7 O14818 2/20 0.49
PSMB1 P20618 2/20 0.49
PSMA1 P25786 2/20 0.49
PSMA2 P25787 2/20 0.49
PSMA3 P25788 2/20 0.49
PSMA4 P25789 2/20 0.49
PSMB9 P28065 2/20 0.49
PSMA5 P28066 2/20 0.49
PSMB4 P28070 2/20 0.49
PSMB6 P28072 2/20 0.49
PSMB10 P40306 2/20 0.49
PSMB3 P49720 2/20 0.49
PSMB2 P49721 2/20 0.49
PSMA6 P60900 2/20 0.49
PSMA8 Q8TAA3 2/20 0.49

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
SCHEMBL19289284 1.00 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL17319651 1.00 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL22423768 1.00 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL8138091 1.00 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL15479562 0.95 CTRL (0.69) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL14538219 0.94 CTRL (0.84) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL8148206 0.94 CTRL (0.84) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL19289283 0.94 CTRL (0.84) CTRLTMPRSS11DPSMB5PSMB8PSMB11
SCHEMBL8136773 0.92 CTRL (0.63) CTRLTMPRSS11DPSMB5
SCHEMBL8123171 0.89 CTRL (0.62) CTRLTMPRSS11DPSMB5

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-2008140782-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2008-11-20 WO disclosed