Sugi Predict

Sugi Predict / Compounds / SCHEMBL12762970

SCHEMBL12762970

SCHEMBL12762970

C=CCOP(=O)(OCC=C)O[C@@H]1C(COC)O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](NC(=O)CCCCCCCCC/C=C\CCCCCC)[C@H]1OCC[C@H](C)CCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.51
▸ LY96 Q9Y6Y9 6/20 0.37
▸ LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL12836653 1.00 TLR4 (0.51) TLR4LY96LPAR3
SCHEMBL12560757 0.94 TLR4 (0.44) TLR4LY96LPAR3
SCHEMBL12560749 0.94 TLR4 (0.44) TLR4LY96LPAR3
SCHEMBL12560664 0.94 TLR4 (0.44) TLR4LY96LPAR3
SCHEMBL12560701 0.94 TLR4 (0.44) TLR4LY96LPAR3
SCHEMBL10042154 0.93 TLR4 (0.59) TLR4LY96
SCHEMBL10071017 0.93 TLR4 (0.59) TLR4LY96
SCHEMBL12601159 0.93 TLR4 (0.59) TLR4LY96
SCHEMBL13302940 0.93 TLR4 (0.59) TLR4LY96
SCHEMBL12600777 0.93 TLR4 (0.59) TLR4LY96

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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