SCHEMBL7410497

SCHEMBL7410497

O=C(N[C@@H](CCS(=O)(=O)c1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.60
CTSL P07711 7/20 0.60
CTSS P25774 10/20 0.57
CTSK P43235 3/20 0.49
CTSH P09668 1/20 0.49
CTSC P53634 1/20 0.49
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TACR2 P21452 2/20 0.47

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
SCHEMBL7410496 1.00 CTSB (0.60) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7414175 0.86 CTSL (0.67) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7414172 0.86 CTSL (0.67) CTSBCTSLCTSSCTSKCTSH
SCHEMBL8691324 0.82 CTSL (0.62) CTSBCTSLCTSSCTSKCTSH
SCHEMBL8691322 0.82 CTSL (0.62) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7410501 0.80 ACACB (0.46) CTSBCTSLPOLBRAB9ASMN1; SMN2
SCHEMBL7414216 0.79 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL8696030 0.79 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL8696034 0.79 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7414213 0.79 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH

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 3 patents. 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
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed