SCHEMBL9521824

SCHEMBL9521824

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@@H](OCCO)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SELP P16109 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 0.90 BCHE (0.34) TLR4L3MBTL1SELP
SCHEMBL8577163 0.90 BCHE (0.34) TLR4L3MBTL1SELP
SCHEMBL9019205 0.90 BCHE (0.34) TLR4L3MBTL1SELP
SCHEMBL8579544 0.89 TLR4 (0.35) TLR4L3MBTL1SELP
SCHEMBL10610859 0.86 TLR4 (0.42) TLR4L3MBTL1SELP
SCHEMBL10610554 0.86 TLR4 (0.42) TLR4L3MBTL1SELP
SCHEMBL6807462 0.85 L3MBTL1 (0.40) TLR4L3MBTL1SELP
SCHEMBL6797796 0.85 L3MBTL1 (0.40) TLR4L3MBTL1SELP
SCHEMBL6797801 0.85 L3MBTL1 (0.40) TLR4L3MBTL1SELP
SCHEMBL10824776 0.85 L3MBTL1 (0.40) TLR4L3MBTL1SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330715-B1 DISACCHARIDE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-5134230-A Disaccharide Antitumor Agent Intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 — — US disclosed
US-5006647-A Antitumor agents DAIICHI SEIYAKU CO., LTD. (JP) 1991-04-09 — — US disclosed
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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