SCHEMBL22873007

SCHEMBL22873007

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 19/20 0.65
PSEN1 P49768 1/20 0.61
PSEN2 P49810 1/20 0.61
APH1B Q8WW43 1/20 0.61
NCSTN Q92542 1/20 0.61
APH1A Q96BI3 1/20 0.61
PSENEN Q9NZ42 1/20 0.61
PSMB11 A5LHX3 2/20 0.56
PSMD11 O00231 2/20 0.56
PSMD12 O00232 2/20 0.56
PSMD14 O00487 2/20 0.56
PSMA7 O14818 2/20 0.56
PSMD3 O43242 2/20 0.56
PSMC3 P17980 2/20 0.56
PSMB1 P20618 2/20 0.56
PSMA1 P25786 2/20 0.56
PSMA2 P25787 2/20 0.56
PSMA3 P25788 2/20 0.56
PSMA4 P25789 2/20 0.56
PSMB8 P28062 2/20 0.56

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
SCHEMBL22873045 0.94 PSMB5 (0.74) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873105 0.94 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873106 0.93 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873171 0.93 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873098 0.92 PSMB5 (0.63) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873195 0.92 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873155 0.92 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873213 0.91 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL10245214 0.91 PSMB5 (0.68) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873080 0.90 PSMB5 (0.57) PSMB5PSEN1PSEN2APH1BNCSTN

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-2021004391-A1 C-MYC PROTEIN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州开拓药业股份有限公司 2021-01-14 WO disclosed