SCHEMBL4784042

SCHEMBL4784042

CCCC(NC(=O)O)C(O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 9/20 0.36
CAPN1 P07384 1/20 0.34
PSMB1 P20618 5/20 0.32
PSMB11 A5LHX3 4/20 0.32
PSMA7 O14818 4/20 0.32
PSMA1 P25786 4/20 0.32
PSMA2 P25787 4/20 0.32
PSMA3 P25788 4/20 0.32
PSMA4 P25789 4/20 0.32
PSMB8 P28062 4/20 0.32
PSMB9 P28065 4/20 0.32
PSMA5 P28066 4/20 0.32
PSMB4 P28070 4/20 0.32
PSMB6 P28072 4/20 0.32
PSMB10 P40306 4/20 0.32
PSMB3 P49720 4/20 0.32
PSMB2 P49721 4/20 0.32
PSMA6 P60900 4/20 0.32
PSMA8 Q8TAA3 4/20 0.32
PSMB7 Q99436 4/20 0.32

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
SCHEMBL3210813 1.00 PSMB5 (0.36) PSMB5CAPN1PSMB1PSMB11PSMA7
SCHEMBL3214474 0.86 PSMB11 (0.32) PSMB5PSMB1PSMB11PSMA7PSMA1
SCHEMBL4784938 0.86 PSMB11 (0.32) PSMB5PSMB1PSMB11PSMA7PSMA1
SCHEMBL3215301 0.84 PDF (0.32)
SCHEMBL4737245 0.84 PDF (0.32)
Hydrochloric Acid SCHEMBL3202312 0.83 ANPEP (0.42) PSMB5CAPN1PSMB1PSMB11PSMA7
Hydrochloric Acid SCHEMBL3202337 0.83 ANPEP (0.42) PSMB5CAPN1PSMB1PSMB11PSMA7
SCHEMBL4786196 0.81 PDF (0.46)
SCHEMBL3205858 0.81 PDF (0.46)
SCHEMBL3219837 0.76 SMN1; SMN2 (0.33) PSMB5RENPSEN1PSEN2APH1B

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-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed