SCHEMBL20173253

SCHEMBL20173253

CC(=O)OC1O[C@H](CN=[N+]=[N-])[C@@H](C)[C@@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 1/20 0.33
PTPN1 P18031 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL19843966 1.00 OGA (0.40) OGACYP2D6THRBHSD17B10CA2
SCHEMBL19587067 0.96 OGA (0.43) OGACYP2D6THRBHSD17B10CA2
SCHEMBL15756360 0.96 OGA (0.40) OGACYP2D6THRBHSD17B10CA2
SCHEMBL24262938 0.88 OGA (0.46) OGACYP2D6THRBHSD17B10CA2
SCHEMBL18203374 0.88 OGA (0.46) OGACYP2D6THRBHSD17B10CA2
SCHEMBL19837831 0.88 OGA (0.46) OGACYP2D6THRBHSD17B10CA2
SCHEMBL18220481 0.88 CYP2D6 (0.35) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL15756359 0.88 CYP2D6 (0.35) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL25083749 0.87 CYP2D6 (0.47) OGACYP2D6THRBHSD17B10CA2
SCHEMBL13715478 0.87 CYP2D6 (0.47) OGACYP2D6THRBHSD17B10CA2

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-20180143200-A1 A METHOD FOR LABELING SPECIFICALLY LIVING MICROORGANISMS COMPRISING THE USE OF MODIFIED MONOSACCHARIDE COMPOUNDS Universite Paris-Saclay (FR) 2018-05-24 US disclosed
US-20180143193-A1 METHOD FOR LABELING SPECIFICALLY LIVING BACTERIA COMPRISING THE USE OF MODIFIED NON ENDOGENOUS MONOSACCHARIDE COMPOUNDS UNIVERSITE D'AIX-MARSEILLE (FR) 2018-05-24 US disclosed