SCHEMBL7560949

SCHEMBL7560949

CCC[C@H](NC(=O)OC(C)(C)C)C(O)c1nnc(-c2ccc(OC)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.52
CTSS P25774 4/20 0.52
HTT P42858 1/20 0.44
CTSL P07711 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
CTSB P07858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 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
SCHEMBL7531970 1.00 CTSK (0.52) CTSKCTSSHTTCTSLALDH1A1
SCHEMBL7604757 0.83 CTSK (0.48) CTSKCTSSCTSLALDH1A1MAPT
SCHEMBL5392186 0.83 CTSK (0.48) CTSKCTSSCTSLALDH1A1MAPT
SCHEMBL7604761 0.83 CTSK (0.48) CTSKCTSSCTSLALDH1A1MAPT
SCHEMBL5398413 0.82 CTSK (0.46) CTSKCTSSCTSLALDH1A1MAPT
SCHEMBL3876674 0.82 CTSK (0.43) CTSKCTSSCTSLALDH1A1CTSB
SCHEMBL3876676 0.82 CTSK (0.43) CTSKCTSSCTSLALDH1A1CTSB
SCHEMBL3619257 0.81 CTSK (0.47) CTSKCTSSHTTCTSLALDH1A1
SCHEMBL5469248 0.81 CTSK (0.47) CTSKCTSSHTTCTSLALDH1A1
SCHEMBL5945913 0.80 CTSK (0.44) CTSKCTSSCTSLALDH1A1MAPT

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