SCHEMBL8690335

SCHEMBL8690335

C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CS(=O)(=O)c1ccccc1)N(C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.46
CTSB P07858 5/20 0.46
CTSL P07711 5/20 0.46
CTSK P43235 3/20 0.46
CTSH P09668 1/20 0.46
CTSC P53634 1/20 0.46
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP8 P22894 1/20 0.39
FKBP1A P62942 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
SCHEMBL7028324 0.81 CTSL (0.51) CTSSCTSBCTSLCTSKCTSH
SCHEMBL8696240 0.80 MMP2 (0.42) CTSSCTSBCTSLCTSKCTSH
SCHEMBL8696250 0.80 MMP2 (0.42) CTSSCTSBCTSLCTSKCTSH
SCHEMBL8696245 0.80 MMP2 (0.42) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7412388 0.79 CTSS (0.42) CTSSCTSBCTSLCTSKCTSH
SCHEMBL8690337 0.78 ALDH1A1 (0.47) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7378602 0.78 CTSS (0.45) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7545314 0.74 CTSS (0.62) CTSSCTSBCTSLCTSC
SCHEMBL7358325 0.74 CTSL (0.62) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7358323 0.74 CTSL (0.62) CTSSCTSBCTSLCTSKCTSH

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
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed