SCHEMBL10824776

SCHEMBL10824776

CCCCCCCCCC(O)CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SELP P16109 2/20 0.34
▸ TLR4 O00206 1/20 0.34
▸ MAG P20916 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ MCHR1 Q99705 2/20 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
SCHEMBL6797801 1.00 L3MBTL1 (0.40) L3MBTL1SELPTLR4MAGBCHE
SCHEMBL10417607 1.00 L3MBTL1 (0.40) L3MBTL1SELPTLR4MAGBCHE
SCHEMBL6797796 1.00 L3MBTL1 (0.40) L3MBTL1SELPTLR4MAGBCHE
SCHEMBL6807464 1.00 L3MBTL1 (0.40) L3MBTL1SELPTLR4MAGBCHE
SCHEMBL6807462 1.00 L3MBTL1 (0.40) L3MBTL1SELPTLR4MAGBCHE
SCHEMBL8434005 0.94 L3MBTL1 (0.40) L3MBTL1MAGTRPV1MCHR1
SCHEMBL10417606 0.89 L3MBTL1 (0.41) L3MBTL1SELPMAGBCHEACHE
SCHEMBL8431552 0.89 L3MBTL1 (0.42) L3MBTL1SELPMCHR1
SCHEMBL10610859 0.88 TLR4 (0.42) L3MBTL1SELPTLR4
SCHEMBL10610554 0.88 TLR4 (0.42) L3MBTL1SELPTLR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61126093-A — — None — — JP disclosed
JP-S61126093-A SUBUNIT ANALOG ON NONREDUCING SIDE OF LIPID A TOHO YAKUHIN KOGYO KK 1986-06-13 — — JP disclosed
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