SCHEMBL7276039

SCHEMBL7276039

CCOC(=O)NCC(CC(C)C)C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.54
▸ PSEN1 P49768 10/20 0.53
▸ PSEN2 P49810 10/20 0.53
▸ APH1B Q8WW43 10/20 0.53
▸ NCSTN Q92542 10/20 0.53
▸ APH1A Q96BI3 10/20 0.53
▸ PSENEN Q9NZ42 10/20 0.53
▸ APP P05067 1/20 0.53
▸ KLK5 Q9Y337 2/20 0.48
▸ CTSD P07339 1/20 0.48

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
SCHEMBL7280138 0.84 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8539911 0.82 PSEN1 (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269627 0.82 PSEN1 (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7279014 0.81 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9848360 0.80 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270592 0.80 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5709671 0.79 PSEN1 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9282508 0.79 PSEN1 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8538889 0.79 PSEN1 (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL2248600 0.78 KLK5 (0.57) 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
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 — — EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 — — US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 — — US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 — — EP disclosed
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