SCHEMBL9726146

SCHEMBL9726146

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
REN P00797 17/20 0.50
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43

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
SCHEMBL9831219 1.00 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL10386880 1.00 CTSS (0.54) CTSSCTSKRENCTSDCTSE
SCHEMBL7284721 0.89 CTSS (0.55) CTSSCTSKRENCTSDCTSE
SCHEMBL7331578 0.89 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL7327707 0.89 CTSS (0.50) CTSSCTSKRENCTSDCTSE
SCHEMBL9484043 0.88 CTSS (0.46) CTSSCTSKREN
SCHEMBL7332591 0.88 CTSS (0.49) CTSSCTSKRENCTSDCTSE
SCHEMBL8225301 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL13306504 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE
SCHEMBL7272375 0.87 CTSS (0.53) CTSSCTSKRENCTSDCTSE

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-5147865-A Viricides BAYER AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed