SCHEMBL12428995

SCHEMBL12428995

CC1(C)CB(c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.44
LPL P06858 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.33
P4HB P07237 1/20 0.33
HTT P42858 2/20 0.32
DGAT1 O75907 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2363798 0.87 LIPG (0.57) LIPGLPLL3MBTL1P4HBHTT
SCHEMBL21320145 0.85 L3MBTL1 (0.37) LIPGLPLL3MBTL1HTTMEN1
SCHEMBL22146484 0.84 LIPG (0.63) LIPGLPLL3MBTL1P4HBDGAT1
SCHEMBL9960809 0.84 LIPG (0.63) LIPGLPLL3MBTL1P4HBDGAT1
SCHEMBL18419165 0.84 LIPG (0.57) LIPGLPLL3MBTL1P4HBHTT
SCHEMBL22571563 0.82 LIPG (0.40) LIPGLPLL3MBTL1HTTMEN1
SCHEMBL27290161 0.82 L3MBTL1 (0.35) LIPGLPLL3MBTL1HTTMEN1
SCHEMBL19106571 0.82 LIPG (0.58) LIPGLPLL3MBTL1P4HBHTT
SCHEMBL1373135 0.82 LIPG (0.58) LIPGLPLL3MBTL1P4HBHTT
SCHEMBL19106583 0.82 LIPG (0.58) LIPGLPLL3MBTL1P4HBHTT

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
EP-2351750-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT Tosoh Corporation (JP) 2011-08-03 EP disclosed