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SCHEMBL9511533

SCHEMBL9511533

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OS(=O)(=O)O)[C@@H](CO)OC(OC)[C@@H]1NC(=O)c1ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 11/20 0.48
▸ LY96 Q9Y6Y9 6/20 0.48
▸ SMPD1 P17405 5/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LGALS3 P17931 2/20 0.39

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
SCHEMBL10417944 1.00 TLR4 (0.48) TLR4LY96SMPD1CA1CA2
SCHEMBL6807592 0.93 SMPD1 (0.41) TLR4LY96SMPD1
SCHEMBL9511882 0.92 SMPD1 (0.43) TLR4LY96SMPD1CA1CA2
SCHEMBL9515090 0.91 TLR4 (0.44) TLR4LY96SMPD1LGALS3
SCHEMBL9515118 0.91 TLR4 (0.44) TLR4LY96SMPD1LGALS3
SCHEMBL10419818 0.88 TLR4 (0.47) TLR4LY96SMPD1CA1CA2
SCHEMBL10419817 0.88 TLR4 (0.47) TLR4LY96SMPD1CA1CA2
SCHEMBL9514279 0.85 SMPD1 (0.42) SMPD1CA1CA2CA9LGALS3
SCHEMBL9513498 0.85 SMPD1 (0.42) SMPD1CA1CA2CA9
SCHEMBL9511499 0.83 SMPD1 (0.40) TLR4LY96SMPD1LGALS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288888-B1 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO (JP) 1993-12-08 — — EP claimed
EP-0288888-A2 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-02 — — EP claimed
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