SCHEMBL7302484

SCHEMBL7302484

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)CNC[C@@H](O)[C@H](Cc1cccc(OCc2ccccc2)c1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
BCHE P06276 3/20 0.47
ATM Q13315 1/20 0.47
CTSD P07339 3/20 0.45
BACE1 P56817 5/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
REN P00797 1/20 0.43
BCL2 P10415 1/20 0.43
PTPN1 P18031 1/20 0.43
GPR132 Q9UNW8 1/20 0.43

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 0.91 KLK5 (0.52) KLK5BCHEATMBACE1PSEN1
SCHEMBL7307792 0.88 KLK5 (0.56) KLK5BCHEATMBACE1PSEN1
SCHEMBL7303561 0.88 KLK5 (0.61) KLK5BCHEATMBACE1PSEN1
SCHEMBL7309398 0.88 KLK5 (0.61) KLK5BCHEATMBACE1PSEN1
SCHEMBL23571174 0.87 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL30029094 0.87 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8954975 0.85 KLK5 (0.50) KLK5BCHEATMBACE1PSEN1
SCHEMBL7309908 0.85 KLK5 (0.65) KLK5BCHEATMBACE1PSEN1
SCHEMBL13630987 0.85 REN (0.54) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5945448 0.85 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