SCHEMBL6948704

SCHEMBL6948704

CCC[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
CTSL P07711 5/20 0.51
CTSS P25774 3/20 0.51
SYK P43405 1/20 0.50
CTSB P07858 2/20 0.49
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
PSMB5 P28074 2/20 0.47
SIRT1 Q96EB6 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
SCHEMBL19015894 0.91 CTSK (0.58) CTSKCTSLCTSSSYKCTSB
SCHEMBL7904398 0.87 CTSK (0.51) CTSKCTSLCTSSSYKCTSB
SCHEMBL30902868 0.87 CTSK (0.51) CTSKCTSLCTSSSYKCTSB
SCHEMBL25908024 0.87 MMP9 (0.53) CTSKCTSLCTSSSYKCTSB
SCHEMBL7397262 0.86 CTSK (0.52) CTSKCTSLCTSSSYKCTSB
SCHEMBL7735268 0.86 CTSK (0.52) CTSKCTSLCTSSSYKCTSB
SCHEMBL7408456 0.85 CTSK (0.49) CTSKCTSLCTSSSYKCTSB
SCHEMBL30480137 0.85 CTSK (0.60) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL13570899 0.85 SYK (0.55) CTSKCTSLCTSSSYKCTSB
SCHEMBL9819558 0.85 SYK (0.55) CTSKCTSLCTSSSYKCTSB

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
EP-1311292-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-21 EP disclosed
WO-2001097861-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed