SCHEMBL8536817

SCHEMBL8536817

COCCOCOCCN(C)C(=O)CC(CC(C)C)C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.53
▸ PSEN1 P49768 6/20 0.47
▸ PSEN2 P49810 6/20 0.47
▸ APH1B Q8WW43 6/20 0.47
▸ NCSTN Q92542 6/20 0.47
▸ APH1A Q96BI3 6/20 0.47
▸ PSENEN Q9NZ42 6/20 0.47
▸ APP P05067 1/20 0.47
▸ KLK5 Q9Y337 2/20 0.43

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
SCHEMBL8536822 0.89 REN (0.48) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7279014 0.85 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7280138 0.76 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8539168 0.76 PSMB1 (0.50) —
SCHEMBL7276039 0.75 REN (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269627 0.74 PSEN1 (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8539911 0.74 PSEN1 (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7399070 0.74 CPA1 (0.46) REN
SCHEMBL7290455 0.74 CPA1 (0.46) REN
SCHEMBL7275376 0.73 PSEN1 (0.57) RENPSEN1PSEN2APH1BNCSTN

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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