Sugi Predict

Sugi Predict / Compounds / SCHEMBL7322916

SCHEMBL7322916

SCHEMBL7322916

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 15/20 0.54
▸ PSEN1 P49768 4/20 0.45
▸ PSEN2 P49810 4/20 0.45
▸ APH1B Q8WW43 4/20 0.45
▸ NCSTN Q92542 4/20 0.45
▸ APH1A Q96BI3 4/20 0.45
▸ PSENEN Q9NZ42 4/20 0.45
▸ KLK5 Q9Y337 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
SCHEMBL7329749 1.00 CTSD (0.54) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7330477 0.87 PSEN1 (0.47) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7329306 0.87 PSEN1 (0.47) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7329133 0.86 PSEN1 (0.58) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7330506 0.84 CTSD (0.49) CTSDPSENEN
SCHEMBL10376838 0.83 CTSD (0.54) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7328692 0.83 CTSD (0.54) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7331246 0.82 REN (0.41) —
SCHEMBL7331234 0.82 REN (0.41) —
SCHEMBL7323581 0.82 TRPM8 (0.55) CTSDPSEN1PSEN2APH1BNCSTN

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
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