SCHEMBL6237797

SCHEMBL6237797

CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)N2CCOCC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.43
CTSK P43235 16/20 0.43
CTSS P25774 15/20 0.43
CTSV O60911 1/20 0.41
CTSB P07858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
CACNA1B Q00975 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL4319024 0.85 CTSK (0.45) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6236079 0.84 CTSK (0.42) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6256605 0.83 CTSK (0.46) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4316707 0.80 CTSS (0.40) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6237786 0.80 CTSL (0.39) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6258945 0.79 CTSL (0.49) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4310385 0.74 CTSK (0.69) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4312951 0.74 CTSK (0.69) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4323805 0.74 CTSK (0.69) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4316429 0.74 CTSK (0.69) CTSLCTSKCTSSCTSVCTSB

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-2005013909-A2 NOVEL CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO disclosed