SCHEMBL7304887

SCHEMBL7304887

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1CO)C(O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.54
ATM Q13315 1/20 0.51
BCHE P06276 4/20 0.47
BACE1 P56817 3/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
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 0.46
REN P00797 1/20 0.44

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
SCHEMBL7311931 0.94 KLK5 (0.54) KLK5ATMBCHEBACE1CTSS
SCHEMBL7312593 0.93 KLK5 (0.52) KLK5ATMBCHEBACE1CTSS
SCHEMBL7303561 0.92 KLK5 (0.61) KLK5ATMBCHEBACE1CTSS
SCHEMBL7309398 0.92 KLK5 (0.61) KLK5ATMBCHEBACE1CTSS
SCHEMBL7305445 0.91 KLK5 (0.50) KLK5ATMBCHEBACE1CTSS
SCHEMBL7310475 0.91 KLK5 (0.53) KLK5ATMBCHEBACE1CTSS
SCHEMBL7309908 0.89 KLK5 (0.65) KLK5ATMBCHEBACE1CTSS
SCHEMBL7314672 0.88 KLK5 (0.51) KLK5ATMBCHEBACE1CTSS
SCHEMBL8954975 0.87 KLK5 (0.50) KLK5ATMBCHEBACE1CTSS
SCHEMBL7311526 0.86 KLK5 (0.55) KLK5ATMBCHEBACE1PSEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 EP disclosed