SCHEMBL6590307

SCHEMBL6590307

CC(C)CC[C@H](NC(=O)Oc1ccoc1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.34
CTSK P43235 20/20 0.34
CTSS P25774 19/20 0.34
CTSB P07858 1/20 0.31

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
SCHEMBL6589313 0.93 CTSL (0.32) CTSLCTSKCTSS
SCHEMBL6591697 0.90 CTSL (0.43) CTSLCTSKCTSS
SCHEMBL6594928 0.88 CTSK (0.35) CTSLCTSKCTSSCTSB
SCHEMBL6590208 0.87 CTSL (0.46) CTSLCTSKCTSSCTSB
SCHEMBL6591197 0.86 CTSL (0.39) CTSLCTSKCTSSCTSB
SCHEMBL6591849 0.86 UTS2R (0.36) CTSLCTSKCTSS
SCHEMBL6593379 0.84 CTSL (0.40) CTSLCTSKCTSS
SCHEMBL6594449 0.84 CTSK (0.33) CTSLCTSKCTSSCTSB
SCHEMBL6485522 0.83 CTSK (0.42) CTSLCTSKCTSS
SCHEMBL6590703 0.83 CTSL (0.42) CTSLCTSKCTSS

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
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed