SCHEMBL2592443

SCHEMBL2592443

CC(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
ESR2 Q92731 1/20 0.45
LIPG Q9Y5X9 8/20 0.43
LPL P06858 7/20 0.43
AAK1 Q2M2I8 2/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
P4HB P07237 1/20 0.38
DGAT1 O75907 1/20 0.37

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
SCHEMBL28989321 0.83 ESR2 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL28989322 0.83 ESR2 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL17289557 0.81 F11 (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL17289554 0.81 F11 (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL29248322 0.78 F11 (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL16501554 0.77 ESR2 (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL1317427 0.76 ADRA2B (0.51)
SCHEMBL2578174 0.76 MME (0.47)
SCHEMBL2595120 0.74 LIPG (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL1290119 0.74 LIPG (0.51) F11F2PRSS1PRSS2PRSS3

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-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed