Sugi Predict

Sugi Predict / Compounds / SCHEMBL9324146

SCHEMBL9324146

SCHEMBL9324146

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.48
▸ LY96 Q9Y6Y9 5/20 0.38
▸ LMNA P02545 1/20 0.36

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
SCHEMBL9472239 0.97 TLR4 (0.47) TLR4LY96
SCHEMBL9472543 0.96 TLR4 (0.51) TLR4LY96
SCHEMBL9472989 0.95 TLR4 (0.46) TLR4LY96
SCHEMBL9325131 0.89 TLR4 (0.42) TLR4
SCHEMBL9472986 0.86 TLR4 (0.54) TLR4LY96
SCHEMBL9325154 0.85 TLR4 (0.61) TLR4LY96
SCHEMBL2312622 0.80 TLR4 (0.54) TLR4
SCHEMBL18789816 0.80 TLR4 (0.57) TLR4LY96
SCHEMBL10776509 0.80 L3MBTL1 (0.46) TLR4LY96
SCHEMBL7714522 0.79 TLR4 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309411-B1 Saccharide derivatives SANDOZ AG (CH) 1994-03-02 — — EP claimed
US-5219843-A Saccharide derivatives SANDOZ LTD. (CH) 1993-06-15 — — US disclosed
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