SCHEMBL6688070

SCHEMBL6688070

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)N[C@H](CC(=O)OCc1ccccc1)CC1CNc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
CTSB P07858 3/20 0.46
CTSS P25774 7/20 0.44
REN P00797 4/20 0.43
CTSK P43235 2/20 0.41
CACNA1B Q00975 4/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL6687349 0.94 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL6690009 0.90 CTSS (0.46) CTSLCTSBCTSSRENCTSK
SCHEMBL6691400 0.86 CTSL (0.44) CTSLCTSBCTSSCTSK
SCHEMBL6693488 0.85 CTSS (0.61) CTSLCTSSCTSK
SCHEMBL6687004 0.85 SYK (0.44) CTSLCTSKKLK7KLK5
SCHEMBL6688121 0.81 CTSL (0.47) CTSLCTSBCTSSCTSK
SCHEMBL6693567 0.81 CTSS (0.68) CTSLCTSSCTSK
SCHEMBL6687234 0.80 CTSS (0.44) CTSLCTSBCTSSRENCTSK
SCHEMBL4798183 0.80 CTSS (0.68) CTSLCTSSCTSK
SCHEMBL4798170 0.80 CTSS (0.68) CTSLCTSSCTSK

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