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SCHEMBL9123773

SCHEMBL9123773

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)C(=O)OCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.42
▸ LY96 Q9Y6Y9 6/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ SSTR3 P32745 2/20 0.37
▸ SSTR5 P35346 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL9126379 0.90 TLR4 (0.42) TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9125890 0.88 TLR4 (0.52) TLR4LY96LGALS8
SCHEMBL9129443 0.88 TLR4 (0.52) TLR4LY96LGALS8
SCHEMBL9127101 0.88 TLR4 (0.39) TLR4LGALS8SSTR3SSTR5MCHR1
SCHEMBL9124536 0.88 TLR4 (0.42) TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9127454 0.88 TLR4 (0.42) TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9127437 0.88 TLR4 (0.39) TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9126017 0.86 TLR4 (0.41) TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9127067 0.86 TLR4 (0.41) TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9125250 0.86 TLR4 (0.41) TLR4LY96LGALS8SSTR3SSTR5

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
US-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 — — US disclosed
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 — — EP disclosed
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