SCHEMBL6690347

SCHEMBL6690347

O=C(NCCC1CNc2ccc(F)cc21)[C@H](CC1CCCCC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.45
CTSL P07711 10/20 0.45
CTSK P43235 8/20 0.45
USP30 Q70CQ3 3/20 0.38
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PAX8 Q06710 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL6690633 0.92 USP30 (0.40) CTSSCTSLCTSKUSP30ADAMTS7
SCHEMBL6686203 0.91 BMP1 (0.42) CTSSCTSLCTSKUSP30ADAMTS7
SCHEMBL6690630 0.90 USP30 (0.41) CTSSCTSLCTSKUSP30L3MBTL1
SCHEMBL6693574 0.90 CTSS (0.42) CTSSCTSLCTSKUSP30ADAMTS7
SCHEMBL6690766 0.89 CTSS (0.44) CTSSCTSLCTSKUSP30ADAMTS7
SCHEMBL6686240 0.85 CTSS (0.41) CTSSCTSLCTSKUSP30
SCHEMBL6693432 0.83 CTSS (0.41) CTSSCTSLCTSKUSP30
SCHEMBL6688123 0.82 CTSS (0.36) CTSSCTSLCTSKUSP30PLAU
SCHEMBL6689460 0.79 MMP3 (0.40) CTSSCTSL
SCHEMBL6693396 0.78 CCKBR (0.37) CTSSCTSLCTSKUSP30

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