SCHEMBL28614944

SCHEMBL28614944

CC1(C)OB(c2ccc3ccc(-c4cccc(-c5ccccn5)c4)nc3c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.43
LPL P06858 6/20 0.43
DGAT1 O75907 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.37
EGFR P00533 1/20 0.35
CYP2A6 P11509 1/20 0.35
GRM5 P41594 2/20 0.34
NPC1 O15118 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SNCA P37840 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL397729 0.89 LPL (0.45) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL28631577 0.85 LIPG (0.41) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL398811 0.85 LIPG (0.55) LIPGLPLDGAT1IRAK4NPC1
SCHEMBL31134246 0.84 LIPG (0.49) LIPGLPLDGAT1CYP2A6GRM5
SCHEMBL808246 0.84 LIPG (0.49) LIPGLPLDGAT1CYP2A6GRM5
SCHEMBL30919897 0.84 LIPG (0.49) LIPGLPLDGAT1CYP2A6GRM5
SCHEMBL24609677 0.82 LPL (0.66) LIPGLPLDGAT1IRAK4NPC1
SCHEMBL18943257 0.81 LPL (0.44) LIPGLPLDGAT1IRAK4EGFR
SCHEMBL402661 0.81 LPL (0.44) LIPGLPLDGAT1IRAK4CYP2A6
SCHEMBL17413792 0.80 LPL (0.49) LIPGLPLDGAT1IRAK4NPC1

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-113330010-A Composition, organic photodiode, and display device LT素材株式会社 2021-08-31 CN disclosed