SCHEMBL7332297

SCHEMBL7332297

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.58
REN P00797 4/20 0.53
CTSD P07339 1/20 0.53
ACE P12821 1/20 0.48
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
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL7323060 0.88 REN (0.56) KLK5RENCTSD
SCHEMBL7354721 0.88 REN (0.56) KLK5RENCTSD
SCHEMBL32662370 0.86 KLK5 (0.66) KLK5RENCTSDACEPSEN1
SCHEMBL7323826 0.85 REN (0.46) KLK5RENCTSDPSEN1PSEN2
SCHEMBL7398543 0.83 KLK5 (0.62) KLK5RENCTSDACEPSEN1
SCHEMBL7405173 0.83 KLK5 (0.62) KLK5RENCTSDACEPSEN1
SCHEMBL21986636 0.83 KLK5 (0.62) KLK5RENCTSDACEPSEN1
SCHEMBL9395131 0.83 KLK5 (0.62) KLK5RENCTSDACEPSEN1
SCHEMBL7325118 0.82 CTSD (0.50) RENCTSD
SCHEMBL10448402 0.82 KLK5 (0.60) KLK5RENPSEN1PSEN2APH1B

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed