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Sugi Predict / Compounds / SCHEMBL9126778

SCHEMBL9126778

SCHEMBL9126778

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCNC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.46
▸ LY96 Q9Y6Y9 6/20 0.45
▸ LGALS8 O00214 1/20 0.45
▸ SELP P16109 1/20 0.41

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
SCHEMBL9124840 1.00 TLR4 (0.46) TLR4LY96LGALS8SELP
SCHEMBL9124847 1.00 TLR4 (0.46) TLR4LY96LGALS8SELP
SCHEMBL9129443 0.93 TLR4 (0.52) TLR4LY96LGALS8SELP
SCHEMBL9125890 0.93 TLR4 (0.52) TLR4LY96LGALS8SELP
SCHEMBL9123429 0.89 LGALS8 (0.48) TLR4LY96LGALS8SELP
SCHEMBL9126739 0.89 MEN1 (0.42) TLR4LY96SELP
SCHEMBL9125656 0.89 MEN1 (0.42) TLR4LY96SELP
SCHEMBL9126181 0.89 MEN1 (0.42) TLR4LY96SELP
SCHEMBL9125725 0.89 MEN1 (0.42) TLR4LY96SELP
SCHEMBL9126001 0.89 HDAC6 (0.41) LGALS8

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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