SCHEMBL3786263

SCHEMBL3786263

CC(C)(C)OC(=O)C(N)c1cccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)NC3CC[CH]CC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 14/20 0.48
PRSS1 P07477 11/20 0.48
PRSS2 P07478 11/20 0.48
PRSS3 P35030 11/20 0.48
F2 P00734 11/20 0.48
PLG P00747 3/20 0.38
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
SMPD1 P17405 1/20 0.36
LTA4H P09960 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL852033 0.93 ST14 (0.49) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851560 0.85 MRGPRX4 (0.43) LTA4H
SCHEMBL851255 0.85 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3786265 0.84 ST14 (0.48) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851305 0.83 FFAR1 (0.41) SMPD1LTA4H
SCHEMBL3790587 0.83 ST14 (0.56) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852041 0.82 ST14 (0.54) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851813 0.81 ST14 (0.53) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8509922 0.81 ST14 (0.53) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3794040 0.81 ST14 (0.61) ST14PRSS1PRSS2PRSS3F2

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-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed