SCHEMBL7645057

SCHEMBL7645057

CC(N[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O)=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.43
▸ MAG P20916 1/20 0.41
▸ POLB P06746 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
SCHEMBL7645050 1.00 SLC6A2 (0.43) SLC6A2MAGPOLBHRASLGALS8
SCHEMBL7643636 0.87 TYMP (0.37) MAG
SCHEMBL7643641 0.87 TYMP (0.37) MAG
SCHEMBL7640422 0.86 SSTR5 (0.35) MAGPOLB
SCHEMBL7640417 0.86 SSTR5 (0.35) MAGPOLB
SCHEMBL6841596 0.83 POLB (0.41) SLC6A2POLBHRASLGALS8CA1
SCHEMBL6842119 0.83 POLB (0.41) SLC6A2POLBHRASLGALS8CA1
SCHEMBL542627 0.81 MAPK1 (0.58) POLBHRASMAPK1
SCHEMBL13031052 0.81 MAPK1 (0.58) POLBHRASMAPK1
SCHEMBL14544300 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462183-B1 SOLID PHASE OLIGOSACCHARIDE SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-10-08 — — US claimed
US-6462183-B1 SOLID PHASE OLIGOSACCHARIDE SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-10-08 — — US disclosed
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