SCHEMBL8994328

SCHEMBL8994328

CC(C)(C)[Si](C)(C)OCCSc1ccc(SC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
MMP1 P03956 1/20 0.33
DUT P33316 2/20 0.32
FDPS P14324 2/20 0.31
HPGD P15428 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL8586241 0.77 DUT (0.36) DUTHPGDCA2
SCHEMBL8589072 0.74
SCHEMBL5199582 0.74 MAOA (0.39) DUT
SCHEMBL31219679 0.74 MEN1 (0.36) DUTHPGDCA2
SCHEMBL8589716 0.74 MMP2 (0.58) MMP2MMP8MMP14MMP1FDPS
SCHEMBL25015309 0.73 DUT (0.33) DUT
SCHEMBL8588143 0.72 MMP2 (0.59) MMP2MMP8MMP14MMP1FDPS
SCHEMBL8994332 0.72 MMP2 (0.51) MMP2MMP8MMP14MMP1FDPS
SCHEMBL8589345 0.71 DUT (0.33) DUT
SCHEMBL25015315 0.69 DUT (0.32) DUT

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
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed