SCHEMBL20114288

SCHEMBL20114288

CC1(C)OB(c2cccc(-c3ccc4c(c3)Sc3ccccc3N4c3cccc4c3oc3ccccc34)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.35
LPL P06858 4/20 0.35
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.31

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
SCHEMBL20114091 0.91 MEN1 (0.35) LIPGLPLMEN1CYP2C19KMT2A
SCHEMBL20114106 0.85 LIPG (0.36) LIPGLPLMEN1CYP2C19KMT2A
SCHEMBL20114180 0.82 LIPG (0.44) LIPGLPLMEN1KMT2A
SCHEMBL20114064 0.80 LIPG (0.45) LIPGLPLMEN1KMT2A
SCHEMBL20114128 0.78 LIPG (0.40) LIPGLPLMEN1KMT2A
SCHEMBL20114079 0.77 MEN1 (0.37) LIPGLPLMEN1CYP2C19KMT2A
SCHEMBL20114179 0.77 LPL (0.33) LIPGLPLMEN1KMT2A
SCHEMBL20114628 0.76 ALOX5 (0.32) ALOX5
SCHEMBL24239147 0.75 LIPG (0.49) LIPGLPLMEN1CYP2C19KMT2A
SCHEMBL22248407 0.75 ALOX5 (0.47) LIPGLPLMEN1CYP2C19KMT2A

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