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Sugi Predict / Compounds / SCHEMBL8583223

SCHEMBL8583223

SCHEMBL8583223

C=CCO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@H](OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C1NC(=O)C(F)(F)[C@@H](CCCCCCCCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.42
▸ LY96 Q9Y6Y9 4/20 0.32
▸ FGF2 P09038 1/20 0.30
▸ MDK P21741 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL9019087 0.91 TLR4 (0.42) TLR4
SCHEMBL8581559 0.90 TLR4 (0.44) TLR4LY96
SCHEMBL9019160 0.90 TLR4 (0.44) TLR4LY96
SCHEMBL9852729 0.90 TLR4 (0.34) TLR4
SCHEMBL9019079 0.89 TLR4 (0.51) TLR4LY96
SCHEMBL9852675 0.89 TLR4 (0.51) TLR4LY96
SCHEMBL9019104 0.87 TLR4 (0.44) TLR4
SCHEMBL8579370 0.83 TLR4 (0.37) TLR4LY96LMNAKMT2A
SCHEMBL9019040 0.82 TLR4 (0.35) TLR4
SCHEMBL9019043 0.82 TLR4 (0.52) 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-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
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