SCHEMBL6689460

SCHEMBL6689460

O=C(NCCC1CNc2ccc(F)cc21)[C@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.40
MMP2 P08253 9/20 0.40
MMP1 P03956 7/20 0.40
BCHE P06276 1/20 0.39
CTSS P25774 3/20 0.38
CTSL P07711 3/20 0.38
F10 P00742 2/20 0.38
PLG P00747 2/20 0.38
PRSS1 P07477 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL6693432 0.87 CTSS (0.41) MMP3MMP2MMP1CTSSCTSL
SCHEMBL6693574 0.84 CTSS (0.42) MMP3MMP2MMP1CTSSCTSL
SCHEMBL6690633 0.81 USP30 (0.40) MMP1CTSSCTSL
SCHEMBL6690630 0.81 USP30 (0.41) MMP3MMP2MMP1CTSSCTSL
SCHEMBL6686203 0.81 BMP1 (0.42) MMP3MMP2MMP1CTSSCTSL
SCHEMBL6686240 0.80 CTSS (0.41) CTSSCTSLPRSS1
SCHEMBL6690326 0.80 CTSS (0.45) MMP3MMP2MMP1CTSSCTSL
SCHEMBL5497651 0.80 CTSS (0.40) CTSSCTSL
SCHEMBL6690347 0.79 CTSS (0.45) CTSSCTSL
SCHEMBL6696331 0.79 CTSS (0.37) CTSSCTSL

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