SCHEMBL9126967

SCHEMBL9126967

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.48
▸ TLR4 O00206 13/20 0.46
▸ SELP P16109 1/20 0.43
▸ LY96 Q9Y6Y9 6/20 0.42
▸ SYNJ2 O15056 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GALK1 P51570 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ RIN1 Q13671 1/20 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
SCHEMBL9129443 0.95 TLR4 (0.52) LGALS8TLR4SELPLY96
SCHEMBL9125890 0.95 TLR4 (0.52) LGALS8TLR4SELPLY96
SCHEMBL9123429 0.92 LGALS8 (0.48) LGALS8TLR4SELPLY96
SCHEMBL9127387 0.90 LGALS8 (0.46) LGALS8TLR4SELPLY96SYNJ2
SCHEMBL9124937 0.90 LGALS8 (0.46) LGALS8TLR4SELPLY96SYNJ2
SCHEMBL9127101 0.89 TLR4 (0.39) LGALS8TLR4SELP
SCHEMBL9124847 0.88 TLR4 (0.46) LGALS8TLR4SELPLY96
SCHEMBL9124840 0.88 TLR4 (0.46) LGALS8TLR4SELPLY96
SCHEMBL9126778 0.88 TLR4 (0.46) LGALS8TLR4SELPLY96
SCHEMBL9124536 0.84 TLR4 (0.42) LGALS8TLR4SELPLY96

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
US-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 — — US disclosed
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 — — EP disclosed
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