Sugi Predict

Sugi Predict / Compounds / SCHEMBL2310112

SCHEMBL2310112

SCHEMBL2310112

CCCCCCCCCCCCO[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](COCc2ccccc2)[C@H]1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 14/20 0.43
▸ TLR2 O60603 4/20 0.34
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LY96 Q9Y6Y9 1/20 0.31

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
SCHEMBL2312471 0.93 TLR4 (0.45) TLR4LY96
SCHEMBL7717841 0.91 TLR4 (0.41) TLR4TLR2
SCHEMBL2311290 0.90 TLR4 (0.45) TLR4TLR2
SCHEMBL2313099 0.89 TLR4 (0.44) TLR4TLR2
SCHEMBL2307234 0.85 TLR4 (0.48) TLR4
SCHEMBL2310244 0.84 TLR4 (0.50) TLR4LY96
SCHEMBL2310785 0.83 TLR4 (0.45) TLR4LY96
SCHEMBL2313871 0.83 TLR4 (0.41) TLR4TLR2LMNAKMT2A
SCHEMBL2794644 0.83 NT5E (0.41) LMNAKMT2A
SCHEMBL2313867 0.80 TLR4 (0.39) TLR4TLR2

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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