SCHEMBL16104641

SCHEMBL16104641

CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CCN1CCCCC1)C(=O)C1(C)CO1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 14/20 0.78
PSMB2 P49721 4/20 0.78
PSMB8 P28062 3/20 0.78
PSMB10 P40306 3/20 0.78
PSMB9 P28065 3/20 0.75
PSMB1 P20618 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
CYP3A4 P08684 1/20 0.75
PSMC3 P17980 1/20 0.75
CYP3A5 P20815 1/20 0.75
CYP3A7 P24462 1/20 0.75
PSMA1 P25786 1/20 0.75
PSMA2 P25787 1/20 0.75
PSMA3 P25788 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
SCHEMBL8267480 1.00 PSMB5 (0.78) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL2633168 0.95 PSMB5 (0.75) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL18871687 0.95 PSMB5 (0.75) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL18871685 0.95 PSMB5 (0.75) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL18871688 0.94 PSMB5 (0.74) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL2633240 0.94 PSMB5 (0.74) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL18871694 0.94 PSMB5 (0.74) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL18871901 0.94 PSMB5 (0.73) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL10081977 0.94 PSMB5 (0.73) PSMB5PSMB2PSMB8PSMB10PSMB9
SCHEMBL18871903 0.94 PSMB5 (0.73) PSMB5PSMB2PSMB8PSMB10PSMB9

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-2266999-B1 Compounds for proteasome enzym inhibition ONYX THERAPEUTICS INC (US) 2014-09-24 EP disclosed