SCHEMBL22873045

SCHEMBL22873045

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 18/20 0.74
PSEN1 P49768 1/20 0.72
PSEN2 P49810 1/20 0.72
APH1B Q8WW43 1/20 0.72
NCSTN Q92542 1/20 0.72
APH1A Q96BI3 1/20 0.72
PSENEN Q9NZ42 1/20 0.72
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61

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
SCHEMBL22873007 0.94 PSMB5 (0.65) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873098 0.93 PSMB5 (0.63) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873105 0.90 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873171 0.90 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873195 0.89 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873155 0.89 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873080 0.88 PSMB5 (0.57) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873213 0.88 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873188 0.88 PSMB5 (0.56) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL22873106 0.87 PSMB5 (0.59) 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