SCHEMBL851865

SCHEMBL851865

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C(=N)NO)cc3)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 19/20 0.49
F2 P00734 14/20 0.49
PRSS1 P07477 11/20 0.49
PRSS2 P07478 11/20 0.49
PRSS3 P35030 11/20 0.49
PLG P00747 3/20 0.48
NPC1 O15118 1/20 0.39

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
SCHEMBL852190 0.95 ST14 (0.50) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851194 0.91 ST14 (0.49) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851056 0.90 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851206 0.86 ST14 (0.58) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851010 0.86 ST14 (0.44) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851564 0.86 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852043 0.85 ST14 (0.43) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852042 0.85 ST14 (0.55) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851226 0.84 ST14 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851250 0.83 ST14 (0.60) ST14F2PRSS1PRSS2PRSS3

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-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed