SCHEMBL6690630

SCHEMBL6690630

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.41
MMP7 P09237 2/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
PLAU P00749 2/20 0.37
HPN P05981 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
CTSL P07711 4/20 0.36
CTSS P25774 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSK P43235 1/20 0.35
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
TRPA1 O75762 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
SCHEMBL6690347 0.90 CTSS (0.45) USP30PLAUHPNCTSLCTSS
SCHEMBL6690633 0.89 USP30 (0.40) USP30PLAUHPNMMP1CTSL
SCHEMBL6686203 0.89 BMP1 (0.42) USP30MMP7PLAUHPNMMP1
SCHEMBL6693574 0.87 CTSS (0.42) USP30MMP9PLAUHPNMMP1
SCHEMBL6690766 0.87 CTSS (0.44) USP30MMP7MMP1MMP2MMP3
SCHEMBL6693432 0.85 CTSS (0.41) USP30MMP1MMP2MMP3CTSL
SCHEMBL6688123 0.84 CTSS (0.36) USP30PLAUHPNCTSLCTSS
SCHEMBL6686240 0.84 CTSS (0.41) USP30CTSLCTSSCTSK
SCHEMBL6689460 0.81 MMP3 (0.40) MMP1MMP2MMP3CTSLCTSS
SCHEMBL6693396 0.80 CCKBR (0.37) USP30CTSLCTSSCTSK

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