SCHEMBL7329222

SCHEMBL7329222

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)O)C1CCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 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
SCHEMBL10910692 0.88 CTSS (0.45) CTSKCTSS
SCHEMBL7337054 0.86 CTSL (0.43) CTSKCTSSCTSLCTSB
SCHEMBL8927576 0.82 CTSS (0.38) CTSKCTSS
SCHEMBL4662788 0.81 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL4662787 0.81 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL7258777 0.80 CTSS (0.45) CTSKCTSS
SCHEMBL4665934 0.80 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL4665932 0.80 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL7398209 0.79 CTSL (0.41) CTSKCTSSCTSLCTSB
SCHEMBL7325161 0.78 CTSK (0.54) CTSKCTSSCTSLCTSB

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-5166154-A Inhibitors of human neutrophil elastase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1992-11-24 US disclosed