SCHEMBL7280138

SCHEMBL7280138

CC(C)CC(CNC(=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 12)

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
▸ REN P00797 2/20 0.52
▸ APP P05067 1/20 0.51
▸ KLK5 Q9Y337 1/20 0.47
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46

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
SCHEMBL7279014 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7276039 0.84 REN (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8539911 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7269627 0.80 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7275376 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7270592 0.78 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9848360 0.78 KLK5 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8539168 0.78 PSMB1 (0.50) PSMB1PSMB5PSMB2
SCHEMBL5709671 0.77 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9282508 0.77 PSEN1 (0.59) 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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