SCHEMBL6686240

SCHEMBL6686240

COc1cccc(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC2CNc3ccc(F)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.41
CTSL P07711 8/20 0.40
CTSK P43235 4/20 0.40
USP30 Q70CQ3 1/20 0.38
ITGAV P06756 1/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL6686203 0.92 BMP1 (0.42) CTSSCTSLCTSKUSP30
SCHEMBL6690766 0.90 CTSS (0.44) CTSSCTSLCTSKUSP30
SCHEMBL6693574 0.88 CTSS (0.42) CTSSCTSLCTSKUSP30
SCHEMBL6690633 0.87 USP30 (0.40) CTSSCTSLCTSKUSP30
SCHEMBL6693396 0.85 CCKBR (0.37) CTSSCTSLCTSKUSP30
SCHEMBL6690347 0.85 CTSS (0.45) CTSSCTSLCTSKUSP30
SCHEMBL6693432 0.84 CTSS (0.41) CTSSCTSLCTSKUSP30
SCHEMBL6690630 0.84 USP30 (0.41) CTSSCTSLCTSKUSP30
SCHEMBL6690381 0.81 CTSS (0.46) CTSSCTSLCTSK
SCHEMBL6689460 0.80 MMP3 (0.40) CTSSCTSLPRSS1

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed