SCHEMBL7414183

SCHEMBL7414183

N[C@H](CC(CCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.59
CTSB P07858 8/20 0.59
CTSS P25774 12/20 0.55
CTSK P43235 3/20 0.52
CTSH P09668 1/20 0.52
CTSC P53634 1/20 0.52
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8691327 0.96 CTSB (0.55) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8159870 0.82 CTSL (0.66) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7414213 0.81 CTSL (0.70) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7414216 0.81 CTSL (0.70) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8696030 0.81 CTSL (0.70) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8696034 0.81 CTSL (0.70) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8156094 0.79 CTSL (0.55) CTSLCTSBCTSSCTSKCTSH
SCHEMBL7411947 0.79 CTSS (0.58) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8691957 0.78 CTSS (0.55) CTSLCTSBCTSSCTSKCTSH
SCHEMBL8369487 0.78 CTSL (0.56) CTSLCTSBCTSSCTSKCTSH

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