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Sugi Predict / Compounds / SCHEMBL7322717

SCHEMBL7322717

SCHEMBL7322717

COC(=O)[C@@H](NC(=O)[C@](NC(=O)C1CCCC1)(C(C)C)C(O)C(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 8/20 0.51
▸ PSEN2 P49810 8/20 0.51
▸ APH1B Q8WW43 8/20 0.51
▸ NCSTN Q92542 8/20 0.51
▸ APH1A Q96BI3 8/20 0.51
▸ PSENEN Q9NZ42 8/20 0.51
▸ KLK5 Q9Y337 1/20 0.49
▸ REN P00797 5/20 0.47
▸ CTSD P07339 4/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7321670 0.92 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7331112 0.89 CTSD (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330454 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329194 0.81 CDYL2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329133 0.81 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330442 0.78 ANPEP (0.45) KLK5CTSDKMT2A
SCHEMBL7324985 0.78 ANPEP (0.45) KLK5CTSDKMT2A
SCHEMBL7326356 0.78 CTSD (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7323521 0.73 CDYL2 (0.41) CTSDKMT2A
SCHEMBL7329267 0.72 REN (0.38) 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