SCHEMBL7604761

SCHEMBL7604761

CCCC[C@H](NC(=O)OC(C)(C)C)C(O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.48
CTSS P25774 5/20 0.48
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSL P07711 3/20 0.44
MAPT P10636 2/20 0.44
CTSV O60911 2/20 0.44
CTSB P07858 2/20 0.44
LMNA P02545 1/20 0.44
TACR1 P25103 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL5392186 1.00 CTSK (0.48) CTSKCTSSALDH1A1L3MBTL1CTSL
SCHEMBL7604757 1.00 CTSK (0.48) CTSKCTSSALDH1A1L3MBTL1CTSL
SCHEMBL5398413 0.91 CTSK (0.46) CTSKCTSSALDH1A1L3MBTL1CTSL
SCHEMBL3619257 0.90 CTSK (0.47) CTSKCTSSALDH1A1CTSLMAPT
SCHEMBL5469248 0.90 CTSK (0.47) CTSKCTSSALDH1A1CTSLMAPT
SCHEMBL5396598 0.90 CTSK (0.43) CTSKCTSSALDH1A1L3MBTL1CTSL
SCHEMBL6677961 0.86 NPSR1 (0.51) CTSKCTSSALDH1A1MAPTLMNA
SCHEMBL7531970 0.83 CTSK (0.52) CTSKCTSSALDH1A1L3MBTL1CTSL
SCHEMBL7560949 0.83 CTSK (0.52) CTSKCTSSALDH1A1L3MBTL1CTSL
SCHEMBL3624413 0.81 CTSK (0.44) CTSKCTSSALDH1A1L3MBTL1CTSL

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