SCHEMBL2309533

SCHEMBL2309533

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 3/20 0.46
▸ TLR4 O00206 9/20 0.43
▸ SIRT2 Q8IXJ6 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTPN1 P18031 1/20 0.39
▸ SIRT1 Q96EB6 2/20 0.39
▸ SIRT3 Q9NTG7 2/20 0.39
▸ LY96 Q9Y6Y9 2/20 0.39

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
SCHEMBL2309529 0.94 SELP (0.43) SELPTLR4SIRT2MEN1ALDH1A1
SCHEMBL2309654 0.92 TLR4 (0.44) SELPTLR4LY96
SCHEMBL2310195 0.87 TLR4 (0.49) SELPTLR4SIRT2
SCHEMBL2310190 0.87 TLR4 (0.49) SELPTLR4SIRT2
SCHEMBL2311952 0.87 TLR4 (0.49) SELPTLR4SIRT2
SCHEMBL2311946 0.87 TLR4 (0.49) SELPTLR4SIRT2
SCHEMBL2313810 0.86 TLR4 (0.52) SELPTLR4LY96
SCHEMBL2308769 0.85 TLR4 (0.51) SELPTLR4
SCHEMBL2364992 0.80 TLR4 (0.49) SELPTLR4PTPN1
SCHEMBL2311714 0.80 TLR4 (0.49) SELPTLR4PTPN1

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-1232168-B1 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF ONCOTHYREON INC (US) 2011-08-03 — — EP disclosed
EP-1232168-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2002-08-21 — — EP disclosed
WO-2001036433-A2 SYNTHETIC LIPID-A ANALOGS AND USES THEREOF BIOMIRA, INC. (CA) 2001-05-25 — — WO disclosed
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