SCHEMBL7412446

SCHEMBL7412446

C[C@@H]1OCC(=O)[C@H]1NC(=O)[CH]C[C@@](C)(CCc1ccccc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.35
SSTR4 P31391 1/20 0.34

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
SCHEMBL6588900 1.00 NAAA (0.35) NAAASSTR4
SCHEMBL6590297 0.90 CYP3A4 (0.34) NAAA
SCHEMBL7413329 0.90 CYP3A4 (0.34) NAAA
SCHEMBL6592004 0.89 CTSL (0.37) NAAASSTR4
SCHEMBL7418471 0.89 CTSL (0.37) NAAASSTR4
SCHEMBL7042962 0.84 SSTR4 (0.31) NAAASSTR4
SCHEMBL6590362 0.84 SSTR4 (0.31) NAAASSTR4
SCHEMBL6590969 0.84 ABCB1 (0.37)
SCHEMBL7523232 0.84 ABCB1 (0.37)
SCHEMBL6586616 0.82 MAPT (0.33)

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 5 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
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 WO disclosed