SCHEMBL6728494

SCHEMBL6728494

CCS(CC)(CC(=O)C(C)(C)C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.33
CA1 P00915 9/20 0.33
MMP1 P03956 6/20 0.33
MMP2 P08253 6/20 0.33
MMP9 P14780 6/20 0.33
MMP8 P22894 6/20 0.33
MMP13 P45452 6/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6734266 0.98 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL6728101 0.88 CES1 (0.35)
SCHEMBL6735906 0.86 FAAH (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL6550717 0.84 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL6728068 0.83 CA2 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL6549459 0.83 CA2 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL6548787 0.83 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL6728060 0.82 HSD11B1 (0.39) HSD11B1
SCHEMBL6726302 0.82 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL6551050 0.82 CA2 (0.35) CA2CA1MMP1MMP2MMP9

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-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed