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Sugi Predict / Compounds / SCHEMBL12762964

SCHEMBL12762964

SCHEMBL12762964

C=CCOC(=O)O[C@H]1[C@H](OCCCCCCCCCC)[C@@H](NC(=O)CC(=O)CCCCCCCCC)[C@@H](O/C=C\C)O[C@@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.38
▸ LY96 Q9Y6Y9 6/20 0.32
▸ MAPK1 P28482 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
SCHEMBL12600785 1.00 TLR4 (0.38) TLR4LY96MAPK1
SCHEMBL4201764 0.90 TLR4 (0.36) TLR4MAPK1
SCHEMBL4201760 0.90 TLR4 (0.36) TLR4MAPK1
SCHEMBL12560731 0.90 TLR4 (0.38) TLR4LY96MAPK1
SCHEMBL10042142 0.89 TLR4 (0.43) TLR4LY96MAPK1
SCHEMBL12560769 0.89 TLR4 (0.43) TLR4LY96MAPK1
SCHEMBL12762935 0.89 TLR4 (0.43) TLR4LY96MAPK1
SCHEMBL10071016 0.89 TLR4 (0.43) TLR4LY96MAPK1
SCHEMBL12560684 0.89 TLR4 (0.43) TLR4LY96MAPK1
SCHEMBL14071681 0.89 TLR4 (0.43) TLR4LY96MAPK1

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-7906633-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-15 — — US disclosed
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