SCHEMBL7535905

SCHEMBL7535905

CCC[C@H](NC(=O)C1(NC(=O)c2ccc(N3CCC(=O)CC3)cc2)CCCCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.51
CTSL P07711 15/20 0.51
CTSB P07858 15/20 0.51
CTSK P43235 14/20 0.51
CTSD P07339 1/20 0.42
TACR2 P21452 3/20 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
SCHEMBL7531006 0.91 CTSS (0.50) CTSSCTSLCTSBCTSKCTSD
SCHEMBL7528749 0.90 CTSS (0.51) CTSSCTSLCTSBCTSKCTSD
SCHEMBL7533061 0.86 CTSS (0.56) CTSSCTSLCTSBCTSK
SCHEMBL7530187 0.86 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL7532290 0.85 CTSS (0.58) CTSSCTSLCTSBCTSK
SCHEMBL7526705 0.85 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL7531164 0.85 CTSS (0.54) CTSSCTSLCTSBCTSK
SCHEMBL7530137 0.85 CTSS (0.62) CTSSCTSLCTSBCTSK
SCHEMBL7533810 0.85 CTSL (0.54) CTSSCTSLCTSBCTSKTACR2
SCHEMBL7530008 0.85 CTSK (0.63) CTSSCTSLCTSBCTSKTACR2

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