SCHEMBL1032869

SCHEMBL1032869

O=CC[C@@H]1O[C@H](C(O)Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
EPHX1 P07099 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
SCHEMBL16620763 0.89 NPSR1 (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL16620322 0.89 NPSR1 (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6692702 0.89 NPSR1 (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7247699 0.86 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7247702 0.86 GRIN2D (0.30) GRIN2DGRIN3BADRA1DADRA1AADRA1B
Iodide SCHEMBL7254660 0.84
Iodide SCHEMBL7250541 0.84
SCHEMBL16620434 0.82
SCHEMBL16620265 0.82
SCHEMBL16620750 0.81

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
EP-2276773-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC AND LOCAL INFLAMMATION La Ferla, Barbara (IT) 2011-01-26 EP disclosed
WO-2009135673-A2 COMPOUNDS WITH GLYCIDIC STRUCTURE ACTIVE IN THE THERAPY OF SYSTEMIC LA FERLA BARBARA (IT) 2009-11-12 WO disclosed