SCHEMBL8570588

SCHEMBL8570588

COc1ccc(COCC(=O)NCC(C)C(=O)N[C@@H](Cc2ccccc2)C(O)CN(CCC(C)C)C(=O)NC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.40
PSEN1 P49768 10/20 0.39
PSEN2 P49810 10/20 0.39
APH1B Q8WW43 10/20 0.39
NCSTN Q92542 10/20 0.39
APH1A Q96BI3 10/20 0.39
PSENEN Q9NZ42 10/20 0.39
BACE1 P56817 1/20 0.38
CTSB P07858 1/20 0.37

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
SCHEMBL8568426 0.87 PSEN1 (0.41) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL5394908 0.85 MMP1 (0.44) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL8564165 0.85 CTSD (0.49) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL8984829 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8567291 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443658 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443651 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329015 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8568989 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7362254 0.77 PSEN1 (0.45) 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
EP-0558630-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-04-08 EP claimed