SCHEMBL9519958

SCHEMBL9519958

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCCOP(c2ccccc2)c2ccccc2)[C@H]1NC(=O)CNC(=O)CCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.49
▸ LY96 Q9Y6Y9 6/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ SELP P16109 1/20 0.40
▸ LGALS8 O00214 1/20 0.39
▸ TK2 O00142 2/20 0.38

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
SCHEMBL9519596 0.93 TLR4 (0.50) TLR4LY96MAPK1
SCHEMBL9518889 0.93 TLR4 (0.50) TLR4LY96MAPK1
SCHEMBL9519587 0.92 TLR4 (0.45) TLR4LY96MAPK1SELP
SCHEMBL9518674 0.89 TLR4 (0.41) TLR4LY96MAPK1SELPLGALS8
SCHEMBL9518882 0.85 MAPK1 (0.42) TLR4LY96MAPK1LGALS8TK2
SCHEMBL9519932 0.84 MAPK1 (0.42) TLR4LY96MAPK1LGALS8TK2
SCHEMBL9521897 0.84 TLR4 (0.47) TLR4SELP
SCHEMBL10961054 0.81 TLR4 (0.58) TLR4LY96SELPLGALS8
SCHEMBL10961052 0.81 TLR4 (0.58) TLR4LY96SELPLGALS8
SCHEMBL9518934 0.79 TLR4 (0.49) TLR4MAPK1SELPLGALS8

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
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