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SCHEMBL2309654

SCHEMBL2309654

CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]1OC(=O)CCCCCCCCCCCCC)C(=O)NCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.44
▸ LY96 Q9Y6Y9 6/20 0.43
▸ SELP P16109 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
SCHEMBL2309533 0.92 SELP (0.46) TLR4LY96SELP
SCHEMBL2313810 0.91 TLR4 (0.52) TLR4LY96SELP
SCHEMBL2308769 0.90 TLR4 (0.51) TLR4SELP
SCHEMBL2309529 0.89 SELP (0.43) TLR4SELP
SCHEMBL2306482 0.81 TLR4 (0.58) TLR4LY96SELP
SCHEMBL2314049 0.81 TLR4 (0.58) TLR4LY96SELP
SCHEMBL2310190 0.81 TLR4 (0.49) TLR4SELP
SCHEMBL2310195 0.81 TLR4 (0.49) TLR4SELP
SCHEMBL2311952 0.80 TLR4 (0.49) TLR4SELP
SCHEMBL2311946 0.80 TLR4 (0.49) TLR4SELP

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
EP-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
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