SCHEMBL8358318

SCHEMBL8358318

CC(C)(C)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.51
▸ TMPRSS6 Q8IU80 8/20 0.51
▸ TMPRSS11D O60235 11/20 0.51
▸ F10 P00742 6/20 0.51
▸ PLG P00747 6/20 0.51
▸ KLKB1 P03952 1/20 0.49
▸ PROC P04070 1/20 0.49
▸ TMPRSS2 O15393 2/20 0.46

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
SCHEMBL17381408 0.92 F2 (0.53) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8354790 0.91 F2 (0.49) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL12847292 0.89 F2 (0.58) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL12514178 0.86 F2 (0.56) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8290835 0.85 F2 (0.59) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL8331318 0.85 TMPRSS11D (0.48) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL14198653 0.85 F2 (0.55) F2TMPRSS6TMPRSS11DF10PLG
Acetic Acid SCHEMBL30541187 0.84 F2 (0.55) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL12514177 0.84 F2 (0.58) F2TMPRSS6TMPRSS11DF10PLG
SCHEMBL17366096 0.83 F2 (0.57) F2TMPRSS6TMPRSS11DF10PLG

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-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 — — WO disclosed
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