SCHEMBL5829404

SCHEMBL5829404

CO[C@H]1O[C@H](CBr)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCHE P06276 1/20 0.46
CA2 P00918 7/20 0.45
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
F10 P00742 1/20 0.39
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA9 Q16790 6/20 0.39
CA14 Q9ULX7 2/20 0.39
TSHR P16473 1/20 0.38
NR3C1 P04150 1/20 0.38
FYN P06241 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7147524 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL4499808 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL4499805 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL7154746 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL7154743 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL8744183 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL7155622 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL7045459 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL7155618 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10BCHECA2
SCHEMBL570264 0.89 CYP2D6 (0.51) CYP2D6THRBHSD17B10BCHECA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018824-B2 Mannosyl transfer with regeneration of GDP-mannose THE SCRIPPS RESEARCH INSTITUTE (US) 2006-03-28 US disclosed
US-20050221447-A1 water soluble transferase enzyme polypeptides, coded by exogenous DNA; glycosylation THE SCRIPPS RESEARCH INSTITUTE 2005-10-06 US disclosed
US-6919440-B2 Mannosyl transfer with regeneration of GDP-mannose THE SCRIPPS RESEARCH INSTITUTE (US) 2005-07-19 US disclosed
US-20030119090-A1 Mannosyl transfer with regeneration of GDP-mannose WONG CHI-HUEY (US) 2003-06-26 US disclosed
US-6485930-B1 Mannosyl transfer with regeneration of GDP-mannose THE SCRIPPS RESEARCH INSTITUTE 2002-11-26 US disclosed