SCHEMBL10960274

SCHEMBL10960274

C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.59
▸ TLR4 O00206 10/20 0.48
▸ LY96 Q9Y6Y9 6/20 0.46
▸ PYGB P11216 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ GJB2 P29033 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SELP P16109 1/20 0.42

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
SCHEMBL10960278 1.00 MAPK1 (0.59) MAPK1TLR4LY96PYGBALDH1A1
SCHEMBL10960916 0.88 TLR4 (0.60) MAPK1TLR4LY96SELP
SCHEMBL9637479 0.88 TLR4 (0.60) MAPK1TLR4LY96SELP
SCHEMBL10960907 0.88 TLR4 (0.60) MAPK1TLR4LY96SELP
SCHEMBL9521910 0.85 MAPK1 (0.69) MAPK1TLR4LY96PYGBALDH1A1
SCHEMBL9233216 0.84 MAPK1 (0.60) MAPK1TLR4LY96PYGBALDH1A1
SCHEMBL22745819 0.83 MAPK1 (0.55) MAPK1TLR4LY96GJB2
SCHEMBL10957912 0.82 SELP (0.49) TLR4SELP
SCHEMBL10957917 0.82 SELP (0.49) TLR4SELP
SCHEMBL4204256 0.82 MAPK1 (0.52) MAPK1TLR4LY96SELP

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-4495346-A CATALYTICALLY COUPLING TWO MONOSACCHARIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-01-22 — — US disclosed
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