SCHEMBL8538889

SCHEMBL8538889

CC(C)C[C@H](NC(=O)OCCCO)C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 11/20 0.56
▸ PSEN2 P49810 11/20 0.56
▸ APH1B Q8WW43 11/20 0.56
▸ NCSTN Q92542 11/20 0.56
▸ APH1A Q96BI3 11/20 0.56
▸ PSENEN Q9NZ42 11/20 0.56
▸ REN P00797 7/20 0.55
▸ CTSD P07339 2/20 0.53
▸ APP P05067 1/20 0.52

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
SCHEMBL7277646 0.83 PSMB1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7268688 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8539133 0.82 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21012316 0.81 REN (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8540510 0.80 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7275376 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28525267 0.80 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28525265 0.80 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28525268 0.80 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9848360 0.79 KLK5 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 — — EP disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 — — US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 — — US disclosed
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