SCHEMBL7322611

SCHEMBL7322611

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCC1C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.58
CTSD P07339 4/20 0.52
PSEN1 P49768 8/20 0.52
PSEN2 P49810 8/20 0.52
APH1B Q8WW43 8/20 0.52
NCSTN Q92542 8/20 0.52
APH1A Q96BI3 8/20 0.52
PSENEN Q9NZ42 8/20 0.52
REN P00797 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL7323031 1.00 KLK5 (0.58) KLK5CTSDPSEN1PSEN2APH1B
SCHEMBL7330949 1.00 KLK5 (0.58) KLK5CTSDPSEN1PSEN2APH1B
SCHEMBL7332548 0.93 KMT2A (0.53) KLK5CTSDPSEN1PSEN2APH1B
SCHEMBL7325133 0.85 CTSD (0.57) KLK5CTSDPSEN1PSEN2APH1B
SCHEMBL10378722 0.84 BACE1 (0.50) CTSDMEN1KMT2A
SCHEMBL10378648 0.84 BACE1 (0.50) CTSDMEN1KMT2A
SCHEMBL10377216 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7325758 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7360172 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7326963 0.83 CTSS (0.40) KLK5CTSDPSEN1PSEN2APH1B

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