SCHEMBL7923404

SCHEMBL7923404

CC1(C)C2C[C@H]1C[C@H]1OB([C@H](CC3CCC3)NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(Oc4ccccc4)c3)OC21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PSMB5 P28074 11/20 0.40
GPR132 Q9UNW8 2/20 0.39
F2 P00734 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
SCHEMBL7921796 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3135741 0.84 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19381911 0.84 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7922252 0.84 PSMB5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19381914 0.84 HDAC1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19382406 0.83 HDAC1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19382410 0.83 HDAC1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7922394 0.82 PSMB5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19381917 0.82 PSMB5 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19382097 0.82 F2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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