SCHEMBL3786265

SCHEMBL3786265

CC(C)(C)OC(=O)NCc1cccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)NC3CC[CH]CC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 11/20 0.48
PRSS1 P07477 9/20 0.48
PRSS2 P07478 9/20 0.48
PRSS3 P35030 9/20 0.48
F2 P00734 9/20 0.48
PRKAA2 P54646 2/20 0.41
HDAC1 Q13547 1/20 0.40
MMP13 P45452 1/20 0.39
SMPD1 P17405 1/20 0.37
PLG P00747 2/20 0.37
ROCK2 O75116 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL851656 0.95 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3795204 0.90 ST14 (0.47) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851254 0.87 ST14 (0.52) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851813 0.86 ST14 (0.53) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851558 0.85 MEN1 (0.44) HDAC1SMPD1
SCHEMBL851900 0.84 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8509922 0.84 ST14 (0.53) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3786263 0.84 ST14 (0.48) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851365 0.84 ST14 (0.50) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851598 0.84 ST14 (0.57) 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