SCHEMBL7274687

SCHEMBL7274687

COC(=O)C(CC(C)C)C[PH](=O)OCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.52
▸ PSEN1 P49768 2/20 0.44
▸ PSEN2 P49810 2/20 0.44
▸ APH1B Q8WW43 2/20 0.44
▸ NCSTN Q92542 2/20 0.44
▸ APH1A Q96BI3 2/20 0.44
▸ PSENEN Q9NZ42 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSS P25774 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43

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
SCHEMBL7274679 0.83 REN (0.55) REN
SCHEMBL18229265 0.74 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL22962098 0.74 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL6857159 0.74 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL1913543 0.74 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL23106755 0.74 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7329655 0.72 REN (0.67) REN
SCHEMBL8073093 0.72 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL28376535 0.72 REN (0.68) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL18171935 0.72 REN (0.68) RENPSEN1PSEN2APH1BNCSTN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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