SCHEMBL6690643

SCHEMBL6690643

CC(CC1CNc2ccc(F)cc21)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.42
CTSL P07711 6/20 0.38
CTSS P25774 6/20 0.38
ADAMTS7 Q9UKP4 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
PLAU P00749 1/20 0.38
HPN P05981 1/20 0.38
CTSK P43235 5/20 0.38
CTSB P07858 1/20 0.36

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 0.80 CTSS (0.42) USP30CTSLCTSSADAMTS7ADAMTS5
SCHEMBL6686203 0.78 BMP1 (0.42) USP30CTSLCTSSADAMTS7ADAMTS5
SCHEMBL6686240 0.78 CTSS (0.41) USP30CTSLCTSSCTSK
SCHEMBL6690630 0.77 USP30 (0.41) USP30CTSLCTSSPLAUHPN
SCHEMBL6690633 0.77 USP30 (0.40) USP30CTSLCTSSADAMTS7ADAMTS5
SCHEMBL6690766 0.76 CTSS (0.44) USP30CTSLCTSSADAMTS7ADAMTS5
SCHEMBL4801957 0.76 CTSS (0.66) CTSLCTSSCTSK
SCHEMBL4801947 0.76 CTSS (0.66) CTSLCTSSCTSK
SCHEMBL4801941 0.76 CTSS (0.66) CTSLCTSSCTSK
SCHEMBL6693432 0.76 CTSS (0.41) 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