SCHEMBL6687004

SCHEMBL6687004

CC(C)(C)OC(=O)C[C@H](CC1CNc2ccc(F)cc21)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CTSL P07711 3/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
MMP8 P22894 1/20 0.38
P2RX7 Q99572 1/20 0.37
CTSK P43235 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTRB1 P17538 2/20 0.37
CCKBR P32239 1/20 0.36
CASP1 P29466 1/20 0.36
OPRK1 P41145 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL6691400 0.92 CTSL (0.44) SYKCTSLIDO1TDO2MMP8
SCHEMBL6688070 0.85 CTSL (0.46) CTSLCTSKKLK7KLK5
SCHEMBL6688121 0.83 CTSL (0.47) CTSLIDO1TDO2CTSKCASP1
SCHEMBL6687349 0.81 CTSL (0.49) CTSLCTSKCASP1
SCHEMBL6690009 0.77 CTSS (0.46) CTSLCTSK
SCHEMBL8286606 0.74 IDO1 (0.53) CTSLIDO1TDO2CCKBR
SCHEMBL6690545 0.73 CTSS (0.53) CTSLCTSK
SCHEMBL6697383 0.73 CTSS (0.46) CTSLCTSK
SCHEMBL25256638 0.73 SYK (0.62) SYKCTSLCTSKITGB3ITGA2B
SCHEMBL7360205 0.73 CTRB1 (0.62) SYKCTSLCTSKITGB3ITGA2B

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-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed