SCHEMBL7532290

SCHEMBL7532290

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.58
CTSL P07711 12/20 0.58
CTSB P07858 12/20 0.58
CTSK P43235 11/20 0.58
NPPA P01160 2/20 0.41
MME P08473 2/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7530137 0.93 CTSS (0.62) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7533061 0.91 CTSS (0.56) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7530187 0.91 CTSS (0.57) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7530384 0.90 CTSL (0.47) CTSSCTSLCTSBCTSKHPGD
SCHEMBL7526705 0.90 CTSS (0.55) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7531164 0.90 CTSS (0.54) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7530008 0.89 CTSK (0.63) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7533810 0.89 CTSL (0.54) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7536001 0.89 CTSL (0.55) CTSSCTSLCTSBCTSKNPPA
SCHEMBL7528445 0.88 CTSS (0.74) 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 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