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Sugi Predict / Compounds / SCHEMBL10042149

SCHEMBL10042149

SCHEMBL10042149

C=CCOC(=O)O[C@H]1[C@H](OCCCCCCCCCC)[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)O[C@@H]1CO[C@@H]1O[C@H](COC)[C@@H](OP(=O)(OCC=C)OCC=C)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]1NC(=O)CCCCCCCCC/C=C\CCCCCC

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.70
▸ LY96 Q9Y6Y9 4/20 0.33

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
SCHEMBL13804021 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL13302941 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL10071019 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL13791314 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL10042158 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL14136615 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL14071683 1.00 TLR4 (0.70) TLR4LY96
SCHEMBL13792000 0.96 TLR4 (0.65) TLR4LY96
SCHEMBL4204271 0.96 TLR4 (0.64) TLR4
SCHEMBL4204272 0.96 TLR4 (0.64) TLR4

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
US-8207144-B2 Improves the stability over time of a corresponding tetrasodium salt useful as a preventive or therapeutic for septicemia, endotoxemia or improving prognosis following coronary artery bypass surgery EISAI R & D MANAGEMENT CO., LTD. (JP) 2012-06-26 — — US disclosed
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