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Sugi Predict / Compounds / SCHEMBL7302313

SCHEMBL7302313

SCHEMBL7302313

CC(C)[C@@H](NCC(=O)c1nc2ccccc2[nH]1)C(=O)NC(=O)C(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.48
▸ PSEN2 P49810 5/20 0.48
▸ APH1B Q8WW43 5/20 0.48
▸ NCSTN Q92542 5/20 0.48
▸ APH1A Q96BI3 5/20 0.48
▸ PSENEN Q9NZ42 5/20 0.48
▸ APP P05067 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.46
▸ BACE1 P56817 8/20 0.45
▸ REN P00797 1/20 0.41

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
SCHEMBL7294026 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7299787 0.82 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7296354 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301992 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7293459 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7293182 0.79 BACE1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7296546 0.78 APP (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7302352 0.78 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301640 0.76 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301543 0.76 PSEN1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 — — EP claimed