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SCHEMBL7329306

SCHEMBL7329306

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(O)C(Cc1ccccc1)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 9/20 0.47
▸ PSEN2 P49810 9/20 0.47
▸ APH1B Q8WW43 9/20 0.47
▸ NCSTN Q92542 9/20 0.47
▸ APH1A Q96BI3 9/20 0.47
▸ PSENEN Q9NZ42 9/20 0.47
▸ CTSD P07339 9/20 0.46
▸ REN P00797 2/20 0.42
▸ KLK5 Q9Y337 1/20 0.42

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
SCHEMBL7330477 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10378689 0.92 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322778 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7325223 0.87 CTSD (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322916 0.87 CTSD (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329749 0.87 CTSD (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7332321 0.87 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329137 0.84 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330454 0.84 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322940 0.82 BACE1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP claimed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed