SCHEMBL10532162

SCHEMBL10532162

COP(=O)(OC)C(O)[C@H](CC1CCCCC1)N(C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 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
SCHEMBL7483390 0.81 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7431999 0.76 REN (0.39) RENPSMB5
SCHEMBL7432795 0.75 CTSD (0.38) REN
SCHEMBL7431811 0.74 PSMB5 (0.41) RENPSMB5PSEN1PSEN2APH1B
SCHEMBL9574983 0.71 REN (0.46) REN
SCHEMBL7433079 0.71 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7432802 0.70 REN (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL13363680 0.68 NPY4R (0.59) RENPSMB5
SCHEMBL17741125 0.68 PSMB5 (0.60) RENPSMB5
SCHEMBL7432319 0.67 PSMB5 (0.40) RENPSMB5PSEN1PSEN2APH1B

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-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 — — WO disclosed
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