SCHEMBL9127101

SCHEMBL9127101

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCCCCCC)C(=O)OCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 8/20 0.39
▸ LGALS8 O00214 1/20 0.37
▸ SSTR3 P32745 5/20 0.37
▸ SSTR5 P35346 5/20 0.37
▸ MCHR1 Q99705 3/20 0.36
▸ SELP P16109 3/20 0.36
▸ SSTR2 P30874 3/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ SSTR4 P31391 1/20 0.36

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
SCHEMBL9127437 0.93 TLR4 (0.39) TLR4LGALS8SSTR3SSTR5SELP
SCHEMBL9126967 0.89 LGALS8 (0.48) TLR4LGALS8SELP
SCHEMBL9123773 0.88 TLR4 (0.42) TLR4LGALS8SSTR3SSTR5MCHR1
SCHEMBL9124536 0.86 TLR4 (0.42) TLR4LGALS8SSTR3SSTR5SELP
SCHEMBL9127454 0.86 TLR4 (0.42) TLR4LGALS8SSTR3SSTR5SELP
SCHEMBL9126379 0.85 TLR4 (0.42) TLR4LGALS8SSTR3SSTR5SELP
SCHEMBL9125890 0.85 TLR4 (0.52) TLR4LGALS8SELP
SCHEMBL9129443 0.85 TLR4 (0.52) TLR4LGALS8SELP
SCHEMBL9126017 0.84 TLR4 (0.41) TLR4LGALS8SSTR3SSTR5SELP
SCHEMBL9127067 0.84 TLR4 (0.41) TLR4LGALS8SSTR3SSTR5SELP

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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