SCHEMBL28906144

SCHEMBL28906144

CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6ccccc6c5)cc4)n3)c2)OC1(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.67
LPL P06858 8/20 0.67
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
DGAT1 O75907 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36

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
SCHEMBL26185476 0.99 LIPG (0.64) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL23105636 0.97 LIPG (0.62) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL30125650 0.97 LIPG (0.62) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL24475168 0.95 LIPG (0.66) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL28579072 0.95 LIPG (0.65) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL23353201 0.92 LIPG (0.58) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL31683814 0.92 LIPG (0.58) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL23327987 0.92 LIPG (0.58) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL21981984 0.92 LIPG (0.58) LIPGLPLKDM4EMEN1ALDH1A1
SCHEMBL21982167 0.92 LIPG (0.58) LIPGLPLKDM4EMEN1ALDH1A1

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
CN-115461339-A Novel compound and organic light emitting device comprising same 株式会社LG化学 2022-12-09 CN disclosed