SCHEMBL7304740

SCHEMBL7304740

CC(C)(O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.51
ATM Q13315 1/20 0.47
BCHE P06276 3/20 0.45
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
BACE1 P56817 3/20 0.44
HDAC8 Q9BY41 1/20 0.44
APP P05067 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
REN P00797 1/20 0.42
BCL2 P10415 1/20 0.42
CTSS P25774 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
SCHEMBL7312642 0.90 KLK5 (0.52) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL7303561 0.89 KLK5 (0.61) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL7309398 0.89 KLK5 (0.61) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL7302660 0.89 KLK5 (0.51) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL7314764 0.88 KLK5 (0.52) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL7307304 0.88 KLK5 (0.52) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL8955028 0.87 KLK5 (0.52) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL7309908 0.85 KLK5 (0.65) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL8955077 0.84 KLK5 (0.49) KLK5ATMBCHEPSEN1PSEN2
SCHEMBL5945448 0.83 REN (0.54) KLK5ATMPSEN1PSEN2APH1B

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