SCHEMBL17708331

SCHEMBL17708331

CC(C)(C)OC(=O)N[C@@H](C[13C]#N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.61
CTSK P43235 16/20 0.61
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58

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
SCHEMBL999757 1.00 CTSS (0.61) CTSSCTSKCTSLCTSB
SCHEMBL999756 1.00 CTSS (0.61) CTSSCTSKCTSLCTSB
SCHEMBL1952503 1.00 CTSS (0.61) CTSSCTSKCTSLCTSB
SCHEMBL29524801 0.87 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL29063337 0.86 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL29046818 0.86 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL28752529 0.86 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL1645984 0.85 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL1645980 0.85 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL13318956 0.84 CTSS (0.59) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320289-B2 Isotopically modified compounds and their use as food supplements RETROTOPE, INC. (US) 2016-04-26 US disclosed