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SCHEMBL9747848

SCHEMBL9747848

CCCCCCCCCCCC(CC(=O)N[C@H]1CO[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCOc1ccc(Cl)cc1)OC(=O)CCCCCCCOc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.48
▸ CNR2 P34972 2/20 0.35
▸ TLR2 O60603 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LY96 Q9Y6Y9 1/20 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
SCHEMBL8606829 0.93 TLR4 (0.49) TLR4CNR2
SCHEMBL8521122 0.88 TLR4 (0.49) TLR4CNR2LY96
SCHEMBL8431613 0.87 TLR4 (0.54) TLR4LY96
SCHEMBL9749817 0.86 TLR4 (0.46) TLR4
SCHEMBL8520484 0.86 TLR4 (0.47) TLR4TLR2
SCHEMBL8520550 0.83 TLR4 (0.45) TLR4CNR2KMT2A
SCHEMBL6911473 0.81 TLR4 (0.43) TLR4LY96
SCHEMBL6800817 0.80 TLR4 (0.54) TLR4LY96
SCHEMBL8520813 0.80 TLR4 (0.37) TLR4CNR2MEN1KMT2A
SCHEMBL8521582 0.80 TLR4 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226381-B1 NOVEL GLUCOPYRANOSE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-05 — — EP claimed
EP-0226381-A2 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 — — EP claimed
US-4925929-A ANTITUMOR AGENTS ONO PHARMACEUTICAL CO. LTD. (JP) 1990-05-15 — — US disclosed
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