SCHEMBL7530225

SCHEMBL7530225

CCC[C@H](NC(=O)C1(NC(=O)c2cc(Cl)ccc2Cl)CCCCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.46
CTSL P07711 13/20 0.46
CTSB P07858 12/20 0.46
CTSK P43235 12/20 0.46
APLNR P35414 1/20 0.42
MAPT P10636 1/20 0.41
NPPA P01160 1/20 0.39
MME P08473 1/20 0.39

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
SCHEMBL7532029 0.92 CTSS (0.48) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7533061 0.89 CTSS (0.56) CTSSCTSLCTSBCTSKAPLNR
SCHEMBL7531164 0.83 CTSS (0.54) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7530187 0.82 CTSS (0.57) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7530107 0.82 CTSK (0.58) CTSSCTSLCTSBCTSKMAPT
SCHEMBL7532290 0.82 CTSS (0.58) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7526705 0.82 CTSS (0.55) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7531445 0.81 CTSS (0.49) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7530008 0.81 CTSK (0.63) CTSSCTSLCTSBCTSKMAPT
SCHEMBL7530137 0.81 CTSS (0.62) CTSSCTSLCTSBCTSKNPPA

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-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed