SCHEMBL14477759

SCHEMBL14477759

CC(=O)OC1OC(CN=[N+]=[N-])[C@@H](C)[C@H](C)C1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.35
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL18807259 0.89 GBA1 (0.35) OGACYP2D6THRBHSD17B10GBA1
SCHEMBL15756360 0.89 OGA (0.40) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL20024613 0.87 CYP2D6 (0.31) OGACYP2D6THRBHSD17B10
SCHEMBL20173253 0.87 OGA (0.40) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL19843966 0.87 OGA (0.40) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL19587067 0.86 OGA (0.43) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL20024612 0.85 LMNA (0.36) THRB
SCHEMBL18220481 0.83 CYP2D6 (0.35) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL15756359 0.83 CYP2D6 (0.35) OGACYP2D6THRBHSD17B10PTPN1
SCHEMBL24262938 0.81 OGA (0.46) OGACYP2D6THRBHSD17B10PTPN1

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-20130004979-A1 GLYCOSYLTRANSFERASE REVERSIBILITY FOR SUGAR NUCLEOTIDE SYNTHESIS AND MICROSCALE SCANNING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed