SCHEMBL10961052

SCHEMBL10961052

CCCCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.58
▸ LY96 Q9Y6Y9 6/20 0.54
▸ SELP P16109 1/20 0.51
▸ LGALS8 O00214 1/20 0.50
▸ SSTR3 P32745 4/20 0.46
▸ SSTR5 P35346 4/20 0.46
▸ SSTR2 P30874 2/20 0.46
▸ SSTR1 P30872 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45

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
SCHEMBL10961054 1.00 TLR4 (0.58) TLR4LY96SELPLGALS8SSTR3
SCHEMBL9520517 0.92 TLR4 (0.54) TLR4LY96SELPLGALS8SSTR3
SCHEMBL10613554 0.90 TLR4 (0.56) TLR4LY96SELP
SCHEMBL6800991 0.89 TLR4 (0.57) TLR4LY96SELPLGALS8
SCHEMBL6795483 0.89 TLR4 (0.57) TLR4LY96SELPLGALS8
SCHEMBL6807622 0.89 TLR4 (0.57) TLR4LY96SELPLGALS8
SCHEMBL6807623 0.89 TLR4 (0.57) TLR4LY96SELPLGALS8
SCHEMBL10958752 0.89 MAPK1 (0.55) TLR4LY96SELPSSTR3SSTR5
SCHEMBL10958757 0.89 MAPK1 (0.55) TLR4LY96SELPSSTR3SSTR5
SCHEMBL9129443 0.89 TLR4 (0.52) TLR4LY96SELPLGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4495346-A CATALYTICALLY COUPLING TWO MONOSACCHARIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-01-22 — — US disclosed
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