SCHEMBL8268435

SCHEMBL8268435

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)COCCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CO1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 13/20 0.81
PSMB9 P28065 2/20 0.81
PSMB8 P28062 2/20 0.81
PSMB10 P40306 2/20 0.81
PSMB2 P49721 2/20 0.81
PSMB11 A5LHX3 1/20 0.81
PSMD11 O00231 1/20 0.81
PSMD12 O00232 1/20 0.81
PSMD14 O00487 1/20 0.81
PSMA7 O14818 1/20 0.81
PSMD3 O43242 1/20 0.81
CTSB P07858 1/20 0.81
CYP3A4 P08684 1/20 0.81
PSMC3 P17980 1/20 0.81
PSMB1 P20618 1/20 0.81
CYP3A5 P20815 1/20 0.81
CYP3A7 P24462 1/20 0.81
PSMA1 P25786 1/20 0.81
PSMA2 P25787 1/20 0.81
PSMA3 P25788 1/20 0.81

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
SCHEMBL21156771 1.00 PSMB5 (0.81) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL8267376 1.00 PSMB5 (0.81) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL21192145 1.00 PSMB5 (0.81) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL8281922 1.00 PSMB5 (0.81) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL18871666 1.00 PSMB5 (0.81) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL20284800 1.00 PSMB5 (0.81) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL20284323 0.97 PSMB5 (0.76) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL23516840 0.96 PSMB5 (0.77) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL12957389 0.95 PSMB5 (0.73) PSMB5PSMB9PSMB8PSMB10PSMB2
SCHEMBL17987914 0.92 CTRL (0.70) PSMB5PSMB9PSMB8PSMB10PSMB2

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-2006017842-A1 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PROTEOLIX, INC. (US) 2006-02-16 WO disclosed