SCHEMBL7471095

SCHEMBL7471095

CCC1OCC(=O)C1NC(=O)CC(C)(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 17/20 0.42
CTSS P25774 17/20 0.42
CTSK P43235 17/20 0.42
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6590847 0.90 CTSL (0.40) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6475733 0.85 CTSL (0.41) CTSLCTSSCTSK
SCHEMBL6590657 0.83 CYP2C19 (0.39) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6589413 0.79 CHRM2 (0.33) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6590154 0.78 CYP2C19 (0.34) CTSLCTSSCTSKCYP2C19HIF1A
SCHEMBL6093210 0.74 CTSL (0.41) CTSLCTSSCTSK
SCHEMBL6476626 0.74 ESRRG (0.34) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6483017 0.73 ACHE (0.35) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6590839 0.73 CTSL (0.39) KMT2ACTSLCTSSCTSKMAPT
SCHEMBL7411727 0.73 CTSL (0.39) KMT2ACTSLCTSSCTSKMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002544274-A 2002-12-24 JP claimed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP claimed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 WO claimed