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Sugi Predict / Compounds / SCHEMBL10610554

SCHEMBL10610554

SCHEMBL10610554

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SELP P16109 3/20 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
SCHEMBL10610859 1.00 TLR4 (0.42) TLR4L3MBTL1SELP
SCHEMBL6800467 0.92 TLR4 (0.46) TLR4L3MBTL1SELP
SCHEMBL6800462 0.92 TLR4 (0.46) TLR4L3MBTL1SELP
SCHEMBL8433665 0.89 TLR4 (0.44) TLR4L3MBTL1SELP
SCHEMBL8434486 0.89 TLR4 (0.44) TLR4L3MBTL1SELP
SCHEMBL8431677 0.89 TLR4 (0.44) TLR4L3MBTL1SELP
SCHEMBL8435522 0.89 TLR4 (0.44) TLR4L3MBTL1SELP
SCHEMBL6807462 0.88 L3MBTL1 (0.40) TLR4L3MBTL1SELP
SCHEMBL6797796 0.88 L3MBTL1 (0.40) TLR4L3MBTL1SELP
SCHEMBL10824776 0.88 L3MBTL1 (0.40) TLR4L3MBTL1SELP

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
US-4746742-A IMMUNOLOGY, ANTI-TUMOR TOHO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1988-05-24 — — US disclosed
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