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SCHEMBL9518674

SCHEMBL9518674

CCCCCCCCCCCC(=O)NCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OCCOP(c2ccccc2)c2ccccc2)[C@H]1NC(=O)CN(C)C(=O)CCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 13/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ LY96 Q9Y6Y9 6/20 0.39
▸ SELP P16109 1/20 0.36
▸ LGALS8 O00214 1/20 0.34

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
SCHEMBL9518882 0.94 MAPK1 (0.42) TLR4MAPK1LY96LGALS8
SCHEMBL9519587 0.90 TLR4 (0.45) TLR4MAPK1LY96SELP
SCHEMBL9519958 0.89 TLR4 (0.49) TLR4MAPK1LY96SELPLGALS8
SCHEMBL9518889 0.86 TLR4 (0.50) TLR4MAPK1LY96
SCHEMBL9519596 0.86 TLR4 (0.50) TLR4MAPK1LY96
SCHEMBL9519932 0.79 MAPK1 (0.42) TLR4MAPK1LY96LGALS8
SCHEMBL10530187 0.79 MAPK1 (0.37) TLR4MAPK1SELP
SCHEMBL9637774 0.78 TLR4 (0.56) TLR4LY96
SCHEMBL9521897 0.77 TLR4 (0.47) TLR4SELP
SCHEMBL9523412 0.77 TLR4 (0.51) TLR4LY96

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
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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