SCHEMBL7530008

SCHEMBL7530008

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.63
CTSL P07711 12/20 0.63
CTSB P07858 12/20 0.63
CTSS P25774 12/20 0.63
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
GLO1 Q04760 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPPA P01160 1/20 0.40
MME P08473 1/20 0.40
TACR2 P21452 3/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7530107 0.93 CTSK (0.58) CTSKCTSLCTSBCTSSKDM4E
SCHEMBL7528445 0.91 CTSS (0.74) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7533061 0.90 CTSS (0.56) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7530187 0.90 CTSS (0.57) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7528076 0.90 CTSL (0.54) CTSKCTSLCTSBCTSSRAB9A
SCHEMBL7526705 0.89 CTSS (0.55) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7532290 0.89 CTSS (0.58) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7531164 0.89 CTSS (0.54) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7533810 0.89 CTSL (0.54) CTSKCTSLCTSBCTSSNPPA
SCHEMBL7530137 0.89 CTSS (0.62) CTSKCTSLCTSBCTSSNPPA

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