SCHEMBL3629986

SCHEMBL3629986

CC(C)C[C@H](NC[C@H](NC(=O)c1cnccn1)C(=O)c1ccccc1)B(O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 17/20 0.66
PSMB5 P28074 12/20 0.66
PSMB11 A5LHX3 10/20 0.66
PSMA7 O14818 10/20 0.66
PSMB1 P20618 10/20 0.66
PSMA1 P25786 10/20 0.66
PSMA2 P25787 10/20 0.66
PSMA3 P25788 10/20 0.66
PSMA4 P25789 10/20 0.66
PSMB8 P28062 10/20 0.66
PSMB9 P28065 10/20 0.66
PSMA5 P28066 10/20 0.66
PSMB4 P28070 10/20 0.66
PSMB6 P28072 10/20 0.66
PSMB10 P40306 10/20 0.66
PSMB3 P49720 10/20 0.66
PSMB2 P49721 10/20 0.66
PSMA6 P60900 10/20 0.66
PSMA8 Q8TAA3 10/20 0.66
PSMB7 Q99436 10/20 0.66

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
SCHEMBL13529050 0.82 PSMB5 (0.71) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL192129 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL466239 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL8099424 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL8049740 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL8035134 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL3676 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL30316729 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL29377226 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1
Bortezomib SCHEMBL685473 0.79 PSMB5 (1.00) LONP1PSMB5PSMB11PSMA7PSMB1

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
US-20100137247-A1 Anti-inflammatory compositions and methods SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-06-03 US disclosed