SCHEMBL7330454

SCHEMBL7330454

COC(=O)C(NC(=O)[C@](NC(=O)C1CCCC1)(C(C)C)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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
KLK5 Q9Y337 1/20 0.39
CTSD P07339 8/20 0.39
REN P00797 2/20 0.36
CTSE P14091 2/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 1/20 0.35
PGC P20142 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7331112 0.89 CTSD (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329267 0.87 REN (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330477 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329306 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7326356 0.83 CTSD (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322717 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329194 0.82 CDYL2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329246 0.81 BACE1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322882 0.81 BACE1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322713 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed