SCHEMBL9417330

SCHEMBL9417330

CC(C)C[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
APP P05067 1/20 0.47
REN P00797 5/20 0.45
KLK5 Q9Y337 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
ACE P12821 1/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10337125 0.99 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7404966 0.99 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9057406 0.99 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6446803 0.92 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6305846 0.92 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7398818 0.92 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5142842 0.92 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7283432 0.92 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7796450 0.92 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9818466 0.91 PSEN1 (0.47) 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-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed