Sugi Predict

Sugi Predict / Compounds / SCHEMBL8431429

SCHEMBL8431429

SCHEMBL8431429

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 16/20 0.53
▸ SELP P16109 1/20 0.43
▸ LGALS8 O00214 1/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ LY96 Q9Y6Y9 1/20 0.41

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
SCHEMBL8431958 0.98 TLR4 (0.54) TLR4SELPLY96
SCHEMBL8436288 0.98 TLR4 (0.54) TLR4SELPLY96
SCHEMBL10418883 0.97 TLR4 (0.54) TLR4SELPMCHR1LY96
SCHEMBL6807623 0.96 TLR4 (0.57) TLR4SELPLGALS8LY96
SCHEMBL6800991 0.96 TLR4 (0.57) TLR4SELPLGALS8LY96
SCHEMBL6795483 0.96 TLR4 (0.57) TLR4SELPLGALS8LY96
SCHEMBL6807622 0.96 TLR4 (0.57) TLR4SELPLGALS8LY96
SCHEMBL10613216 0.94 TLR4 (0.60) TLR4SELPLGALS8LY96
SCHEMBL8432746 0.94 TLR4 (0.49) TLR4LGALS8MCHR1
SCHEMBL8432743 0.94 TLR4 (0.49) TLR4LGALS8MCHR1

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 3 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
EP-0226381-A2 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 — — EP disclosed
Send feedback