SCHEMBL7279014

SCHEMBL7279014

CC(C)CC(CC(=O)N(C)Cc1ccccc1)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
▸ PSEN1 P49768 12/20 0.53
▸ PSEN2 P49810 12/20 0.53
▸ APH1B Q8WW43 12/20 0.53
▸ NCSTN Q92542 12/20 0.53
▸ APH1A Q96BI3 12/20 0.53
▸ PSENEN Q9NZ42 12/20 0.53
▸ APP P05067 1/20 0.53
▸ REN P00797 4/20 0.53
▸ KLK5 Q9Y337 1/20 0.49

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
SCHEMBL8539168 0.91 PSMB1 (0.50) —
SCHEMBL7280138 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8536817 0.85 REN (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8538870 0.85 PSMB1 (0.46) —
SCHEMBL7276039 0.81 REN (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8536822 0.81 REN (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8539911 0.81 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7269627 0.81 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8536788 0.79 REN (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270592 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 5 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
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 — — US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 — — EP disclosed
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