SCHEMBL7322901

SCHEMBL7322901

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.51
REN P00797 1/20 0.51
CSNK1E P49674 1/20 0.48
LAP3 P28838 2/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL7322905 1.00 CTSD (0.51) CTSDRENCSNK1ELAP3ANPEP
SCHEMBL7331822 0.83 CSNK1E (0.46) CTSDCSNK1ELAP3ANPEPRNPEP
SCHEMBL7328595 0.82 CTSD (0.65) CTSDREN
SCHEMBL16312273 0.81 CTSD (0.66) CTSDRENANPEPKLK5
SCHEMBL16312279 0.81 CTSD (0.65) CTSDREN
SCHEMBL17776311 0.80 CTSD (0.56) CTSDREN
SCHEMBL4070035 0.80 MMP2 (0.57) CTSDRENCSNK1ELAP3ANPEP
SCHEMBL5808622 0.79 LAP3 (0.60) CTSDLAP3ANPEPRNPEPDNPEP
SCHEMBL21570174 0.79 LAP3 (0.60) CTSDLAP3ANPEPRNPEPDNPEP
SCHEMBL21570176 0.79 LAP3 (0.60) CTSDLAP3ANPEPRNPEPDNPEP

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