SCHEMBL20114064

SCHEMBL20114064

CC1(C)OB(c2cccc(-c3ccc4c(c3)Sc3ccccc3N4c3cccc(-c4ccccc4)c3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.45
LPL P06858 8/20 0.45
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
KMT2A Q03164 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
SCHEMBL20114180 0.96 LIPG (0.44) LIPGLPLMEN1ADRA2AADRA2B
SCHEMBL20114063 0.94 LIPG (0.47) LIPGLPLFAAHALDH1A1HSP90AA1
SCHEMBL20114173 0.89 LIPG (0.52) LIPGLPLMEN1ADRA2AADRA2B
SCHEMBL20114153 0.87 LIPG (0.52) LIPGLPLMEN1ADRA2AADRA2B
SCHEMBL28726381 0.86 LPL (0.40) LIPGLPLALDH1A1MEN1ADRA2A
SCHEMBL29445686 0.86 LPL (0.40) LIPGLPLALDH1A1MEN1ADRA2A
SCHEMBL20114128 0.85 LIPG (0.40) LIPGLPLMEN1ADRA2AADRA2B
SCHEMBL13832944 0.84 LPL (0.43) LIPGLPLMEN1ADRA2AADRA2B
SCHEMBL20114104 0.83 LIPG (0.47) LIPGLPLFAAHALDH1A1HSP90AA1
SCHEMBL20114288 0.80 LIPG (0.35) LIPGLPLMEN1KMT2A

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