SCHEMBL15218985

SCHEMBL15218985

CCCCC(CC)COCC(O)CN(CCNCCNCCNCC(O)COCCCS(=O)(=O)O)CCNCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CYP3A4 P08684 1/20 0.33

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
SCHEMBL15218986 0.98 MMP9 (0.38) MMP9MMP8MMP14CYP3A4
SCHEMBL23837947 0.97 MMP9 (0.39) MMP9MMP8MMP14CYP3A4
SCHEMBL18545358 0.94 MMP9 (0.40) MMP9MMP8MMP14CYP3A4
SCHEMBL18545357 0.92 MMP9 (0.40) MMP9MMP8MMP14CYP3A4
SCHEMBL15218999 0.92 MMP9 (0.41) MMP9MMP8MMP14CYP3A4
SCHEMBL9928066 0.92 MMP9 (0.41) MMP9MMP8MMP14CYP3A4
SCHEMBL9928055 0.92 MMP9 (0.41) MMP9MMP8MMP14CYP3A4
SCHEMBL15218984 0.92 MMP9 (0.41) MMP9MMP8MMP14CYP3A4
SCHEMBL15218976 0.92 CYP3A4 (0.38) MMP9MMP8MMP14CYP3A4
SCHEMBL18545359 0.91 MMP9 (0.40) MMP9MMP8MMP14CYP3A4

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-2013126683-A1 REDUCING ALUMINOSILICATE SCALE IN THE BAYER PROCESS NALCO COMPANY (US) 2013-08-29 WO disclosed