SCHEMBL8577163

SCHEMBL8577163

C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(=O)C[C@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ TLR4 O00206 10/20 0.34
▸ SELP P16109 4/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL8579402 1.00 BCHE (0.34) BCHEACHETLR4SELPL3MBTL1
SCHEMBL9019205 1.00 BCHE (0.34) BCHEACHETLR4SELPL3MBTL1
SCHEMBL9521824 0.90 TLR4 (0.37) TLR4SELPL3MBTL1
SCHEMBL8579544 0.88 TLR4 (0.35) TLR4SELPL3MBTL1
SCHEMBL9019090 0.87 TLR4 (0.43) TLR4SELPL3MBTL1
SCHEMBL9019191 0.87 TLR4 (0.43) TLR4SELPL3MBTL1
SCHEMBL10610554 0.85 TLR4 (0.42) TLR4SELPL3MBTL1
SCHEMBL10610859 0.85 TLR4 (0.42) TLR4SELPL3MBTL1
SCHEMBL9019027 0.84 TLR4 (0.36) TLR4SELPL3MBTL1
SCHEMBL6807462 0.84 L3MBTL1 (0.40) BCHEACHETLR4SELPL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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