SCHEMBL7260340

SCHEMBL7260340

CCC(NC(=O)C(CS(=O)(=O)CC1CC1)N(/C=C/S(C)(=O)=O)NC1CCCC1)C(O)c1nc2ccccc2o1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 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
SCHEMBL7260343 0.85 CTSS (0.32) CTSS
SCHEMBL5945973 0.80 CTSS (0.34) CTSS
SCHEMBL6700654 0.74 CTSS (0.35) CTSS
SCHEMBL6633244 0.74 CTSS (0.35) CTSS
SCHEMBL6700659 0.74 CTSS (0.35) CTSS
SCHEMBL6206918 0.71 METAP2 (0.40) CTSS
SCHEMBL6206684 0.71 NPC1 (0.42) CTSS
SCHEMBL6630981 0.70 CTSS (0.34) CTSS
SCHEMBL6630977 0.70 CTSS (0.34) CTSS
SCHEMBL6630976 0.70 CTSS (0.34) CTSS

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