SCHEMBL9521833

SCHEMBL9521833

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@@H](OCCO)O[C@H](CO)[C@@H](O)[C@@H]1O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ TLR4 O00206 13/20 0.48
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ SELP P16109 1/20 0.42
▸ SYNJ2 O15056 2/20 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
SCHEMBL9521826 1.00 MAPK1 (0.51) MAPK1TLR4CA1CA2CA9
SCHEMBL9324213 0.88 TLR4 (0.48) MAPK1TLR4SELPSYNJ2
SCHEMBL9324219 0.88 TLR4 (0.48) MAPK1TLR4SELPSYNJ2
SCHEMBL10775862 0.88 TLR4 (0.48) MAPK1TLR4SELPSYNJ2
SCHEMBL10775868 0.88 TLR4 (0.48) MAPK1TLR4SELPSYNJ2
SCHEMBL10354142 0.85 TLR4 (0.43) TLR4SELPSYNJ2
SCHEMBL9518934 0.84 TLR4 (0.49) MAPK1TLR4SELP
SCHEMBL9521897 0.83 TLR4 (0.47) TLR4SELP
SCHEMBL9786197 0.83 TLR4 (0.49) TLR4SELP
SCHEMBL9786193 0.83 TLR4 (0.49) TLR4SELP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330715-B1 DISACCHARIDE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-5134230-A Disaccharide Antitumor Agent Intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 — — US disclosed
US-5006647-A Antitumor agents DAIICHI SEIYAKU CO., LTD. (JP) 1991-04-09 — — US disclosed
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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