SCHEMBL6690633

SCHEMBL6690633

O=C(NCCC1CNc2ccc(F)cc21)[C@H](CC1CCCCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.40
ADAMTS7 Q9UKP4 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CTSS P25774 10/20 0.38
CTSL P07711 9/20 0.38
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
CTSK P43235 2/20 0.36
BMP1 P13497 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 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
SCHEMBL6693574 0.96 CTSS (0.42) USP30ADAMTS7ADAMTS5CTSSCTSL
SCHEMBL6690766 0.96 CTSS (0.44) USP30ADAMTS7ADAMTS5CTSSCTSL
SCHEMBL6686203 0.93 BMP1 (0.42) USP30ADAMTS7ADAMTS5CTSSCTSL
SCHEMBL6690347 0.92 CTSS (0.45) USP30ADAMTS7ADAMTS5CTSSCTSL
SCHEMBL6690630 0.89 USP30 (0.41) USP30CTSSCTSLPLAUHPN
SCHEMBL6686240 0.87 CTSS (0.41) USP30CTSSCTSLCTSK
SCHEMBL6693432 0.85 CTSS (0.41) USP30CTSSCTSLCTSKMMP1
SCHEMBL6688123 0.84 CTSS (0.36) USP30CTSSCTSLPLAUHPN
SCHEMBL6689460 0.81 MMP3 (0.40) CTSSCTSLMMP1
SCHEMBL6693396 0.80 CCKBR (0.37) USP30CTSSCTSLCTSK

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