SCHEMBL7532283

SCHEMBL7532283

CCCC(NC(=O)C1(NC(=O)c2ccc(-c3csc(NC4CCNCC4)n3)cc2)CCCCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.47
CTSB P07858 18/20 0.47
CTSS P25774 18/20 0.47
CTSK P43235 13/20 0.47
NPPA P01160 1/20 0.40
MME P08473 1/20 0.40

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
SCHEMBL7532628 0.82 CTSB (0.58) CTSLCTSBCTSSCTSK
SCHEMBL7533893 0.81 CTSB (0.60) CTSLCTSBCTSSCTSK
SCHEMBL7532290 0.81 CTSS (0.58) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7533810 0.80 CTSL (0.54) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7530137 0.80 CTSS (0.62) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7533061 0.80 CTSS (0.56) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7530187 0.80 CTSS (0.57) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7526705 0.79 CTSS (0.55) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7531164 0.79 CTSS (0.54) CTSLCTSBCTSSCTSKNPPA
SCHEMBL7530008 0.79 CTSK (0.63) CTSLCTSBCTSSCTSKNPPA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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