SCHEMBL9520517

SCHEMBL9520517

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OCC(=O)OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.54
▸ LGALS8 O00214 1/20 0.53
▸ LY96 Q9Y6Y9 6/20 0.51
▸ SELP P16109 1/20 0.46
▸ MCHR1 Q99705 2/20 0.43
▸ SSTR2 P30874 2/20 0.41
▸ SSTR3 P32745 2/20 0.41
▸ SSTR5 P35346 2/20 0.41
▸ TK2 O00142 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
SCHEMBL10961052 0.92 TLR4 (0.58) TLR4LGALS8LY96SELPMCHR1
SCHEMBL10961054 0.92 TLR4 (0.58) TLR4LGALS8LY96SELPMCHR1
SCHEMBL9129443 0.88 TLR4 (0.52) TLR4LGALS8LY96SELP
SCHEMBL9125890 0.88 TLR4 (0.52) TLR4LGALS8LY96SELP
SCHEMBL9519954 0.84 TLR4 (0.48) TLR4LGALS8LY96MCHR1
SCHEMBL10613554 0.83 TLR4 (0.56) TLR4LY96SELP
SCHEMBL9126967 0.83 LGALS8 (0.48) TLR4LGALS8LY96SELP
SCHEMBL9123429 0.82 LGALS8 (0.48) TLR4LGALS8LY96SELP
SCHEMBL6795483 0.82 TLR4 (0.57) TLR4LGALS8LY96SELP
SCHEMBL6807622 0.82 TLR4 (0.57) TLR4LGALS8LY96SELP

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 3 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
Send feedback