Sugi Predict

Sugi Predict / Compounds / SCHEMBL7717841

SCHEMBL7717841

SCHEMBL7717841

CCCCCCCCCCCCO[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](COCc2ccccc2)OC(O)[C@@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 13/20 0.41
▸ TLR2 O60603 4/20 0.34
▸ TNF P01375 1/20 0.32
▸ CETP P11597 2/20 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
SCHEMBL2310112 0.91 TLR4 (0.43) TLR4TLR2
SCHEMBL2313099 0.90 TLR4 (0.44) TLR4TLR2
SCHEMBL2311290 0.89 TLR4 (0.45) TLR4TLR2
SCHEMBL2307234 0.86 TLR4 (0.48) TLR4
SCHEMBL2310244 0.84 TLR4 (0.50) TLR4
SCHEMBL2312471 0.84 TLR4 (0.45) TLR4
SCHEMBL7714522 0.83 TLR4 (0.56) TLR4
SCHEMBL2310785 0.82 TLR4 (0.45) TLR4
SCHEMBL2313871 0.82 TLR4 (0.41) TLR4TLR2TNF
SCHEMBL2792451 0.81 NT5E (0.39) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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