SCHEMBL21382872

SCHEMBL21382872

CC1(C)OB(c2ccc(-c3cccc(-c4ccc5c(c4)-c4cccc6cccc(c46)S5)c3)cc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 11/20 0.51
▸ LPL P06858 10/20 0.51
▸ TYMS P04818 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ F11 P03951 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30

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
SCHEMBL21382916 0.92 LIPG (0.43) LIPGLPLTYMSCA1CA2
SCHEMBL21382836 0.88 LIPG (0.42) LIPGLPLTYMSCA1CA2
SCHEMBL21383176 0.84 LIPG (0.42) LIPGLPLTYMSSNCAIRAK4
SCHEMBL21382883 0.83 LIPG (0.50) LIPGLPLCA1CA2CA9
SCHEMBL21382717 0.83 LIPG (0.43) LIPGLPLTYMSSNCAIRAK4
SCHEMBL21385268 0.81 LIPG (0.42) LIPGLPLTYMSCA1CA2
SCHEMBL25223314 0.80 LIPG (0.61) LIPGLPLTYMSCA1CA2
SCHEMBL21382919 0.80 LIPG (0.46) LIPGLPLSNCAIRAK4KEAP1
SCHEMBL27254968 0.77 LIPG (0.81) LIPGLPLCA1CA2CA9
SCHEMBL31301084 0.76 TYMS (0.42) TYMS

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-2019182360-A1 COMPOUND, ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY DEVICE 에스케이머티리얼즈 주식회사 2019-09-26 — — WO disclosed
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