SCHEMBL21229438

SCHEMBL21229438

COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 2/20 0.76
CTRL P40313 2/20 0.76
PSMB5 P28074 14/20 0.75
PSMB8 P28062 3/20 0.75
CYP3A4 P08684 2/20 0.75
CYP3A5 P20815 2/20 0.75
CYP3A7 P24462 2/20 0.75
CYP3A43 Q9HB55 2/20 0.75
PSMB9 P28065 2/20 0.75
PSMB10 P40306 2/20 0.75
PSMB2 P49721 2/20 0.75
PSMB11 A5LHX3 1/20 0.75
PSMD11 O00231 1/20 0.75
PSMD12 O00232 1/20 0.75
PSMD14 O00487 1/20 0.75
PSMA7 O14818 1/20 0.75
PSMD3 O43242 1/20 0.75
CTSB P07858 1/20 0.75
PSMC3 P17980 1/20 0.75
PSMB1 P20618 1/20 0.75

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
SCHEMBL17629505 1.00 TMPRSS11D (0.76) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL8080980 1.00 TMPRSS11D (0.76) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL10083436 1.00 TMPRSS11D (0.76) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL17629503 1.00 TMPRSS11D (0.76) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL19762063 1.00 TMPRSS11D (0.76) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL23616283 1.00 TMPRSS11D (0.76) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL17452274 0.95 CTRL (0.70) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL20825236 0.93 CTRL (0.74) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL18257499 0.93 CTRL (0.74) TMPRSS11DCTRLPSMB5PSMB8CYP3A4
SCHEMBL21367483 0.93 CTRL (0.74) TMPRSS11DCTRLPSMB5PSMB8CYP3A4

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
EP-2207791-B2 CRYSTALLINE PEPTIDE EPOXY KETONE PROTEASE INHIBITORS AND THE SYNTHESIS OF AMINO ACID KETO-EPOXIDES ONYX THERAPEUTICS INC (US) 2019-08-07 EP disclosed