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Sugi Predict / Compounds / SCHEMBL8431677

SCHEMBL8431677

SCHEMBL8431677

CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1OC(=O)CCCCCCCCc1ccccc1)OC(=O)CCCCCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SELP P16109 1/20 0.35
▸ FDFT1 P37268 1/20 0.34
▸ BCHE P06276 1/20 0.33

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
SCHEMBL8434486 1.00 TLR4 (0.44) TLR4L3MBTL1SELPFDFT1BCHE
SCHEMBL8433665 1.00 TLR4 (0.44) TLR4L3MBTL1SELPFDFT1BCHE
SCHEMBL8435522 1.00 TLR4 (0.44) TLR4L3MBTL1SELPFDFT1BCHE
SCHEMBL6800467 0.97 TLR4 (0.46) TLR4L3MBTL1SELPBCHE
SCHEMBL6800462 0.97 TLR4 (0.46) TLR4L3MBTL1SELPBCHE
SCHEMBL8436537 0.97 TLR4 (0.40) TLR4L3MBTL1
SCHEMBL8432989 0.97 TLR4 (0.40) TLR4L3MBTL1
SCHEMBL8432987 0.97 TLR4 (0.40) TLR4L3MBTL1
SCHEMBL8431391 0.94 TLR4 (0.42) TLR4
SCHEMBL8433939 0.94 TLR4 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36385-E TREATMENT OF TUMORS, ENHANCING IMMUNITY ONO PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 — — US disclosed
US-4925929-A ANTITUMOR AGENTS ONO PHARMACEUTICAL CO. LTD. (JP) 1990-05-15 — — US disclosed
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