SCHEMBL860586

SCHEMBL860586

CC(C)(C)OC(=O)NC1CCC([AsH]C(=O)c2cc(OCc3cccc(Br)c3)cc(Oc3ccc(C(=N)NO)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 10/20 0.46
▸ F2 P00734 9/20 0.46
▸ PRSS1 P07477 7/20 0.46
▸ PRSS2 P07478 7/20 0.46
▸ PRSS3 P35030 7/20 0.46
▸ MAOB P27338 3/20 0.39
▸ PARP15 Q460N3 2/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ BTK Q06187 3/20 0.35
▸ PLG P00747 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MAOA P21397 1/20 0.34

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
SCHEMBL851131 0.90 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851341 0.82 ST14 (0.66) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852042 0.81 ST14 (0.55) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851226 0.81 ST14 (0.62) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851665 0.80 ST14 (0.50) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851900 0.79 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852041 0.79 ST14 (0.54) ST14F2PRSS1PRSS2PRSS3
SCHEMBL852094 0.78 ST14 (0.73) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851056 0.77 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851758 0.77 ST14 (0.54) 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
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