SCHEMBL9511906

SCHEMBL9511906

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](NC(=O)CCc2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)[C@@H](OC)O[C@H](COS(=O)(=O)O)[C@H]1OS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 11/20 0.41
▸ LY96 Q9Y6Y9 6/20 0.41
▸ FGF2 P09038 1/20 0.35
▸ MDK P21741 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 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
SCHEMBL9512979 0.98 TLR4 (0.38) TLR4LY96FGF2MDKHDAC1
SCHEMBL6801798 0.97 TLR4 (0.41) TLR4LY96FGF2
SCHEMBL8431664 0.84 TLR4 (0.45) TLR4LY96HDAC1HDAC2
SCHEMBL6807592 0.83 SMPD1 (0.41) TLR4LY96
SCHEMBL10417944 0.81 TLR4 (0.48) TLR4LY96
SCHEMBL9511533 0.81 TLR4 (0.48) TLR4LY96
SCHEMBL9513498 0.81 SMPD1 (0.42) —
SCHEMBL9511499 0.80 SMPD1 (0.40) TLR4LY96
SCHEMBL8435107 0.76 TLR4 (0.36) TLR4LY96HDAC1HDAC2
SCHEMBL9514279 0.76 SMPD1 (0.42) —

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
EP-0288888-B1 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO (JP) 1993-12-08 — — EP claimed
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