SCHEMBL8308836

SCHEMBL8308836

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccco1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.70
CTSK P43235 11/20 0.70
CTSB P07858 4/20 0.67
CTSL P07711 3/20 0.67
AKT1 P31749 1/20 0.59
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
PSMB2 P49721 1/20 0.55
ACE P12821 1/20 0.53
ATM Q13315 1/20 0.51

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
SCHEMBL3383006 0.87 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.83 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10040933 0.83 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.83 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12204485 0.82 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7724300 0.82 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7339869 0.82 ACE (0.55) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7339862 0.82 ACE (0.55) CTSSCTSKCTSBCTSLAKT1
SCHEMBL14264754 0.81 PSMB5 (0.59) CTSSCTSBCTSLPSMB1PSMB5
SCHEMBL2793925 0.81 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1

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