SCHEMBL2933650

SCHEMBL2933650

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)Oc1ccc(-c2ccccc2)cn1)[C@@H](C)O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 18/20 0.59
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PSMB1 P20618 3/20 0.53
PSMB11 A5LHX3 2/20 0.53

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
SCHEMBL2927497 0.91 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2931289 0.90 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2934011 0.89 PSMB5 (0.59) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL13079048 0.89 PSMB5 (0.64) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2927498 0.88 PSMB5 (0.56) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2931822 0.88 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2933171 0.88 PSEN1 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2932867 0.88 PSMB5 (0.58) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2929773 0.87 PSMB5 (0.56) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL2935034 0.86 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
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP claimed