SCHEMBL2490873

SCHEMBL2490873

Cc1ccc(N(C(=O)O)c2ccc(N(c3ccc(C)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 12/20 0.44
LPL P06858 11/20 0.44
P4HB P07237 1/20 0.42
F11 P03951 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
HIF1A Q16665 1/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL12890199 0.88 LPL (0.51) LIPGLPLP4HBF11HIF1A
SCHEMBL1505745 0.88 LPL (0.51) LIPGLPLP4HBF11HIF1A
SCHEMBL18016692 0.88 LPL (0.51) LIPGLPLP4HBF11HIF1A
SCHEMBL16420981 0.85 LIPG (0.57) LIPGLPLP4HBF11CA1
SCHEMBL21138915 0.85 LIPG (0.57) LIPGLPLP4HBF11CA1
SCHEMBL443872 0.85 LIPG (0.57) LIPGLPLP4HBF11F2
SCHEMBL516506 0.83 AAK1 (0.41) LIPGLPLP4HBF11F2
SCHEMBL1963035 0.83 LIPG (0.59) LIPGLPLP4HBF11HIF1A
SCHEMBL4360484 0.83 LIPG (0.59) LIPGLPLP4HBF11HIF1A
SCHEMBL16532853 0.81 LIPG (0.71) LIPGLPLP4HBCA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379476-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES The University of Melbourne (AU) 2011-10-26 EP disclosed
WO-2010060160-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF MELBOURNE (AU) 2010-06-03 WO disclosed
WO-2010060159-A1 NOVEL BLOCK COPOLYMERS, METHODS OF PREPARATION AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF MELBOURNE (AU) 2010-06-03 WO disclosed