SCHEMBL6690766

SCHEMBL6690766

COc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](CC3CCCCC3)C(=O)NCCC3CNc4ccc(F)cc43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.44
CTSL P07711 7/20 0.43
BMP1 P13497 1/20 0.40
CTSK P43235 5/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
ALDH1A1 P00352 1/20 0.40
USP30 Q70CQ3 2/20 0.38
NPC1 O15118 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 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
SCHEMBL6686203 0.98 BMP1 (0.42) CTSSCTSLBMP1CTSKMMP1
SCHEMBL6690633 0.96 USP30 (0.40) CTSSCTSLBMP1CTSKMMP1
SCHEMBL6693574 0.93 CTSS (0.42) CTSSCTSLCTSKMMP1MMP2
SCHEMBL6686240 0.90 CTSS (0.41) CTSSCTSLCTSKUSP30
SCHEMBL6690347 0.89 CTSS (0.45) CTSSCTSLCTSKUSP30ADAMTS7
SCHEMBL6690630 0.87 USP30 (0.41) CTSSCTSLCTSKMMP1MMP2
SCHEMBL6693432 0.84 CTSS (0.41) CTSSCTSLCTSKMMP1MMP2
SCHEMBL6690381 0.84 CTSS (0.46) CTSSCTSLCTSKMMP1MMP2
SCHEMBL6688123 0.82 CTSS (0.36) CTSSCTSLCTSKUSP30
SCHEMBL6693396 0.79 CCKBR (0.37) CTSSCTSLCTSKALDH1A1USP30

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