SCHEMBL8310285

SCHEMBL8310285

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.71
CTSK P43235 11/20 0.71
CTSB P07858 4/20 0.64
CTSL P07711 2/20 0.64
PSMB1 P20618 1/20 0.59
PSMB8 P28062 1/20 0.59
PSMB9 P28065 1/20 0.59
PSMB5 P28074 1/20 0.59
PSMB10 P40306 1/20 0.59
PSMB2 P49721 1/20 0.59
AKT1 P31749 1/20 0.57
CYP3A4 P08684 2/20 0.56

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
SCHEMBL7860818 0.93 CTSS (0.79) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL30687389 0.92 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL16908125 0.92 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL16908103 0.92 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL3383006 0.88 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16899181 0.87 PSMB8 (0.60) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL16899182 0.87 PSMB8 (0.60) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL16908000 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL30687361 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL16907991 0.86 CTSS (0.57) CTSSCTSKCTSBCTSLPSMB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed