SCHEMBL7260298

SCHEMBL7260298

COC(=O)C(CC1CCCCC1)NCC=NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.35
CTSL P07711 4/20 0.35
CTSB P07858 4/20 0.35
CTSH P09668 2/20 0.35
CTSS P25774 1/20 0.33
USP30 Q70CQ3 3/20 0.33
CPB2 Q96IY4 3/20 0.32
NPY5R Q15761 1/20 0.32
PADI1 Q9ULC6 1/20 0.32
PADI4 Q9UM07 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7261246 0.87 CPB2 (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL5946123 0.75 CTSK (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL5946118 0.75 CTSK (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL16684111 0.73 CTSK (0.44) CTSKCTSLCTSBCTSHCTSS
SCHEMBL22652551 0.72 CTSK (0.41) CTSKCTSLCTSBCTSHCTSS
SCHEMBL23513830 0.71 CTSK (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL18435573 0.71 CTSK (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL24690943 0.70 CTSK (0.42) CTSKCTSLCTSBCTSHCTSS
SCHEMBL23052492 0.70 REN (0.44) CTSKCTSLCTSBCTSHCTSS
SCHEMBL25523633 0.70 CTSK (0.45) CTSKCTSLCTSBCTSHCTSS

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
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed