SCHEMBL6451122

SCHEMBL6451122

OC[C@H]1OC(O)C[C@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.55
SLC6A2 P23975 2/20 0.51
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 1/20 0.41
SLC5A2 P31639 2/20 0.40
HRAS P01112 1/20 0.40

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
SCHEMBL10904817 1.00 PDE4D (0.55) PDE4DSLC6A2TSHRCYP2C19ADORA2A
SCHEMBL10904820 1.00 PDE4D (0.55) PDE4DSLC6A2TSHRCYP2C19ADORA2A
SCHEMBL10803799 0.91 PDE4D (0.61) PDE4DSLC6A2TSHRCYP2C19ADORA2A
SCHEMBL10809088 0.91 PDE4D (0.61) PDE4DSLC6A2TSHRCYP2C19ADORA2A
SCHEMBL16149060 0.87 PDE4D (0.54) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL16149061 0.87 PDE4D (0.54) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL16149062 0.87 PDE4D (0.54) PDE4DSLC6A2TSHRCYP2C19
SCHEMBL12573461 0.86 PDE4D (0.53) PDE4DSLC6A2TSHRCYP2C19ADORA2A
SCHEMBL17867756 0.86 PDE4D (0.53) PDE4DSLC6A2
SCHEMBL17867755 0.86 PDE4D (0.53) PDE4DSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461046-A4 FLUORINATED GLUCOSAMINE ANALOGS USEFUL FOR MODULATING POST-TRANSLATIONAL GLYCOSYLATIONS ON CELLS BRIGHAM & WOMENS HOSPITAL (US) 2005-06-22 EP claimed
EP-1461046-A2 FLUORINATED GLUCOSAMINE ANALOGS USEFUL FOR MODULATING POST-TRANSLATIONAL GLYCOSYLATIONS ON CELLS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-09-29 EP claimed
WO-2003093410-A2 FLUORINATED GLUCOSAMINE ANALOGS USEFUL FOR MODULATING POST-TRANSLATIONAL GLYCOSYLATIONS ON CELLS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-11-13 WO claimed