SCHEMBL20114153

SCHEMBL20114153

CC1(C)OB(c2ccc3c(c2)Sc2ccccc2N3c2ccc(-c3ccccc3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.52
LPL P06858 7/20 0.52
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
NOX1 Q9Y5S8 2/20 0.34
MEN1 O00255 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.33
DGAT1 O75907 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL13832944 0.93 LPL (0.43) LIPGLPLHDAC6L3MBTL1NOX1
SCHEMBL20114063 0.91 LIPG (0.47) LIPGLPLHDAC6L3MBTL1NOX1
SCHEMBL20114173 0.91 LIPG (0.52) LIPGLPLHDAC6L3MBTL1NOX1
SCHEMBL20114180 0.89 LIPG (0.44) LIPGLPLHDAC6L3MBTL1NOX1
SCHEMBL20114170 0.88 LPL (0.37) LIPGLPLHDAC6L3MBTL1NOX1
SCHEMBL20114064 0.87 LIPG (0.45) LIPGLPLL3MBTL1NOX1MEN1
SCHEMBL3476592 0.86 HDAC6 (0.38) LIPGLPLHDAC6L3MBTL1NOX1
SCHEMBL29662259 0.86 LPL (0.49) LIPGLPLHDAC6NOX1MAOA
SCHEMBL18267536 0.86 LPL (0.49) LIPGLPLHDAC6NOX1MAOA
SCHEMBL20114185 0.85 LPL (0.48) LIPGLPLHDAC6L3MBTL1NOX1

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed