SCHEMBL30458149

SCHEMBL30458149

C[C@H](NC(=O)OC(C)(C)C)c1cccc(CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.46
GLS O94925 3/20 0.45
ATM Q13315 2/20 0.44
CTSL P07711 2/20 0.44
MAPT P10636 1/20 0.44
CTSS P25774 6/20 0.43
ACE P12821 1/20 0.43
CTSB P07858 3/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL30940056 1.00 CTSK (0.46) CTSKGLSATMCTSLMAPT
SCHEMBL29228867 1.00 CTSK (0.46) CTSKGLSATMCTSLMAPT
SCHEMBL506117 0.88 CTSK (0.47) CTSKGLSATMCTSLMAPT
SCHEMBL28299509 0.88 CTSK (0.47) CTSKGLSATMCTSLMAPT
SCHEMBL4254301 0.87 GLS (0.47) CTSKGLSATMMAPTCTSS
SCHEMBL4254298 0.87 GLS (0.47) CTSKGLSATMMAPTCTSS
SCHEMBL14987513 0.86 GLS (0.51) CTSKGLSATMCTSLMAPT
SCHEMBL14395967 0.86 CTSK (0.47) CTSKGLSATMCTSLMAPT
SCHEMBL14987521 0.86 GLS (0.49) CTSKGLSATMCTSLMAPT
SCHEMBL5913936 0.85 GLS (0.46) CTSKGLSATMCTSLMAPT

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-4408845-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2024-08-07 EP disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed