SCHEMBL8358012

SCHEMBL8358012

CC(C)(C)OC[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.52
▸ F10 P00742 5/20 0.52
▸ PLG P00747 5/20 0.52
▸ KLKB1 P03952 2/20 0.52
▸ PROC P04070 1/20 0.52
▸ TMPRSS6 Q8IU80 10/20 0.48
▸ F11 P03951 1/20 0.46
▸ PRSS1 P07477 3/20 0.43
▸ TMPRSS11D O60235 3/20 0.43

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
SCHEMBL8353843 0.88 F2 (0.43) F2F10PLGTMPRSS6PRSS1
SCHEMBL8344650 0.88 F2 (0.56) F2F10PLGKLKB1PROC
SCHEMBL8358388 0.81 F2 (0.59) F2F10PLGKLKB1PROC
SCHEMBL8358318 0.80 F2 (0.51) F2F10PLGKLKB1PROC
SCHEMBL8220846 0.80 F2 (0.62) F2F10PLGKLKB1PROC
SCHEMBL17381408 0.79 F2 (0.53) F2F10PLGKLKB1PROC
SCHEMBL8354790 0.78 F2 (0.49) F2F10PLGKLKB1PROC
SCHEMBL8346530 0.78 F2 (0.57) F2F10PLGTMPRSS6PRSS1
SCHEMBL8345186 0.78 F2 (0.51) F2F10PLGKLKB1PROC
SCHEMBL12156653 0.78 F2 (0.61) F2F10PLGKLKB1PROC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 — — EP disclosed
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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