SCHEMBL6842119

SCHEMBL6842119

CC(N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O)=C1C(=O)N(C)C(=O)N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HRAS P01112 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL6841596 1.00 POLB (0.41) POLBSLC6A2HRASLGALS8CA1
SCHEMBL6837139 0.86 SLC6A2 (0.38) POLBSLC6A2HRASLGALS8CA1
SCHEMBL6841364 0.85 CA2 (0.39) POLBSLC6A2HRASLGALS8CA1
SCHEMBL6837019 0.85 LGALS8 (0.38) POLBHRASLGALS8CA1CA2
SCHEMBL7645057 0.83 SLC6A2 (0.43) POLBSLC6A2HRASLGALS8CA1
SCHEMBL7645050 0.83 SLC6A2 (0.43) POLBSLC6A2HRASLGALS8CA1
SCHEMBL13031052 0.81 MAPK1 (0.58) POLBHRASMAPK1
SCHEMBL14544300 0.81 MAPK1 (0.58) POLBHRASMAPK1
SCHEMBL21097246 0.81 MAPK1 (0.58) POLBHRASMAPK1
SCHEMBL20643560 0.81 MAPK1 (0.58) POLBHRASMAPK1

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-6765089-B1 FOR USE IN THE SYNTHESIS OF PEPTIDES, OLIGOSACCHARIDES, GLYCOPEPTIDES AND GLYCOLIPIDS ALCHEMIA PTY LTD (AU) 2004-07-20 — — US disclosed
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