SCHEMBL10124691

SCHEMBL10124691

CC1(C)OB(c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.56
LPL P06858 13/20 0.56
P4HB P07237 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 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
F11 P03951 2/20 0.37
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 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
SCHEMBL14907355 0.94 LPL (0.50) LIPGLPLP4HBCA1CA2
SCHEMBL21626502 0.94 LPL (0.50) LIPGLPLP4HBCA1CA2
SCHEMBL15906977 0.92 LIPG (0.65) LIPGLPLP4HBCA1CA2
SCHEMBL1702020 0.92 LIPG (0.65) LIPGLPLP4HBCA1CA2
SCHEMBL17409160 0.92 LIPG (0.65) LIPGLPLP4HBCA1CA2
SCHEMBL15714688 0.92 LIPG (0.65) LIPGLPLP4HBCA1CA2
SCHEMBL771817 0.92 LIPG (0.65) LIPGLPLP4HBCA1CA2
SCHEMBL23966479 0.87 LIPG (0.74) LIPGLPLP4HBCA1CA2
SCHEMBL13418566 0.87 LIPG (0.74) LIPGLPLP4HBCA1CA2
SCHEMBL21138915 0.86 LIPG (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025760-A1 PROCESS FOR THE BORYLATION OF ARENES AND HETEROARYLS THE UNIVERSITY OF MANCHESTER (GB) 2012-03-01 WO disclosed