SCHEMBL6515339

SCHEMBL6515339

CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@@H](N)CC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.42
CTSS P25774 20/20 0.42
CTSK P43235 20/20 0.42

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
SCHEMBL14347626 0.86 NAAA (0.40) CTSLCTSS
Hydrochloric Acid SCHEMBL5627174 0.85 NAAA (0.39) CTSLCTSS
Hydrochloric Acid SCHEMBL5627163 0.85 NAAA (0.39) CTSLCTSS
SCHEMBL7037265 0.82 METAP2 (0.34) CTSLCTSSCTSK
SCHEMBL7039308 0.81 METAP2 (0.33) CTSLCTSSCTSK
SCHEMBL7034077 0.80 AAK1 (0.37)
SCHEMBL7036267 0.78 METAP2 (0.35) CTSS
SCHEMBL7037428 0.78 AAK1 (0.35) CTSK
SCHEMBL7033232 0.77 METAP2 (0.34) CTSSCTSK
SCHEMBL6515007 0.76 CTSS (0.58) CTSLCTSSCTSK

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
WO-2005082876-A1 C-5 SUBSTITUTED FURANONE DIPEPTIDE CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2005-09-09 WO disclosed