Sugi Predict

Sugi Predict / Compounds / SCHEMBL2314211

SCHEMBL2314211

SCHEMBL2314211

C=CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.44
▸ SELP P16109 4/20 0.34
▸ MCHR1 Q99705 2/20 0.32
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL2314217 0.94 TLR4 (0.42) TLR4SELPPTPN1
SCHEMBL2313867 0.92 TLR4 (0.39) TLR4SELPMCHR1
SCHEMBL2310785 0.90 TLR4 (0.45) TLR4SELP
SCHEMBL9786250 0.87 TLR4 (0.51) TLR4
SCHEMBL2313871 0.87 TLR4 (0.41) TLR4SELP
SCHEMBL2310244 0.85 TLR4 (0.50) TLR4SELP
SCHEMBL2306694 0.84 TLR4 (0.52) TLR4SELP
SCHEMBL2306688 0.84 TLR4 (0.52) TLR4SELP
SCHEMBL9625166 0.84 TLR4 (0.48) TLR4SELP
SCHEMBL2006641 0.83 TLR4 (0.41) 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 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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