SCHEMBL7904398

SCHEMBL7904398

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.51
SYK P43405 1/20 0.51
CTSL P07711 6/20 0.50
CTSS P25774 5/20 0.50
CTSB P07858 2/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
PSMB5 P28074 2/20 0.48

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
SCHEMBL30902868 0.96 CTSK (0.51) CTSKSYKCTSLCTSSCTSB
SCHEMBL13570899 0.95 SYK (0.55) CTSKSYKCTSLCTSSCTSB
SCHEMBL13570900 0.95 SYK (0.55) CTSKSYKCTSLCTSSCTSB
SCHEMBL9819558 0.95 SYK (0.55) CTSKSYKCTSLCTSSCTSB
SCHEMBL30480137 0.93 CTSK (0.60) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL9819550 0.93 CTSK (0.63) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL29100712 0.92 SIRT2 (0.55) CTSLCTSS
SCHEMBL29100713 0.92 SIRT2 (0.55) CTSLCTSS
SCHEMBL8722981 0.91 CTSK (0.53) CTSKSYKCTSLCTSSCTSB
SCHEMBL19325104 0.91 SYK (0.51) CTSKSYKCTSLCTSSCTSB

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
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed