SCHEMBL8148206

SCHEMBL8148206

CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1cscn1)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C1(C)CO1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRL P40313 11/20 0.84
TMPRSS11D O60235 5/20 0.78
PSMB5 P28074 8/20 0.76
PSMB9 P28065 2/20 0.56
PSMB11 A5LHX3 1/20 0.56
PSMD11 O00231 1/20 0.56
PSMD12 O00232 1/20 0.56
PSMD14 O00487 1/20 0.56
PSMA7 O14818 1/20 0.56
PSMD3 O43242 1/20 0.56
CTSB P07858 1/20 0.56
CYP3A4 P08684 1/20 0.56
PSMC3 P17980 1/20 0.56
PSMB1 P20618 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP3A7 P24462 1/20 0.56
PSMA1 P25786 1/20 0.56
PSMA2 P25787 1/20 0.56
PSMA3 P25788 1/20 0.56
PSMA4 P25789 1/20 0.56

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
SCHEMBL14538219 1.00 CTRL (0.84) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL19289283 1.00 CTRL (0.84) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL17319651 0.94 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL22423768 0.94 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL8138091 0.94 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL8143459 0.94 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL19289284 0.94 CTRL (0.74) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL8129540 0.93 CTRL (0.73) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL20431041 0.92 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB9PSMB11
SCHEMBL20431039 0.92 CTRL (1.00) CTRLTMPRSS11DPSMB5PSMB9PSMB11

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