SCHEMBL7922394

SCHEMBL7922394

CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCC1)B1OC2[C@H]3C[C@@H](C[C@H]2O1)C3(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 16/20 0.48
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
GNPAT O15228 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB2 P49721 1/20 0.38

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
SCHEMBL19381917 1.00 PSMB5 (0.48) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL7922233 0.89 PSMB5 (0.39) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL7922390 0.83 PSEN1 (0.35) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL3140881 0.83 PSMB5 (0.71) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL7923404 0.82 PSEN1 (0.46) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL7922252 0.81 PSMB5 (0.48) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL7927527 0.80 NPY5R (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19381924 0.80 PSMB5 (0.40) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL7921796 0.79 PSEN1 (0.40) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL12279029 0.78 PSMB5 (0.49) 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-2010036357-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed