SCHEMBL6595613

SCHEMBL6595613

CCC(C)(C)C[C@H](NC(=O)Oc1ccoc1)C(=O)NC1C(=O)COC1CCN(C)C

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
SCHEMBL6597144 0.93 CTSL (0.48) CTSLCTSSCTSK
SCHEMBL6590795 0.92 CTSL (0.50) CTSLCTSSCTSK
SCHEMBL6591726 0.90 CTSL (0.41) CTSLCTSSCTSK
SCHEMBL6592614 0.90 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6592946 0.89 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6588976 0.87 CTSL (0.53) CTSLCTSSCTSK
SCHEMBL6593379 0.87 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL6484425 0.86 CTSL (0.52) CTSLCTSSCTSK
SCHEMBL6591849 0.86 UTS2R (0.36) CTSLCTSSCTSK
SCHEMBL6592370 0.86 CTSL (0.41) 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
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed