SCHEMBL7300835

SCHEMBL7300835

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.47
PSEN1 P49768 10/20 0.45
PSEN2 P49810 10/20 0.45
APH1B Q8WW43 10/20 0.45
NCSTN Q92542 10/20 0.45
APH1A Q96BI3 10/20 0.45
PSENEN Q9NZ42 10/20 0.45
APP P05067 1/20 0.45
REN P00797 3/20 0.41
BACE1 P56817 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
SCHEMBL7303392 0.86 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL10444524 0.84 PSEN1 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7293840 0.84 KLK5 (0.46) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7300241 0.82 PSEN1 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7299761 0.77 PSEN1 (0.56) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7324970 0.77 PSEN1 (0.41) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL2059396 0.76 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7298687 0.76 PTPN1 (0.45) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7295474 0.75 KLK5 (0.41) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7293225 0.74 PSEN1 (0.52) KLK5PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP disclosed