SCHEMBL2583061

SCHEMBL2583061

OC(Cc1ccccc1)[C@H]1OC[C@H](O)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
TRPA1 O75762 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL3163944 0.80 GRIN2D (0.33) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL3145397 0.80 GRIN2D (0.33) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL3136547 0.80 GRIN2D (0.33) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL31016265 0.80 GRIN2D (0.33) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL3155159 0.80 GRIN2D (0.33) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL6637475 0.79 GRIN2D (0.32) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL11124714 0.76 GRIN2D (0.32) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL4024044 0.76 CYP1A2 (0.34) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL16147835 0.75 GRIN2B (0.32) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL11283703 0.74 GRIN2D (0.33) GRIN2BGRIN2DGRIN3BADRA1DADRA1A

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
WO-2011137181-A1 SYNTHETIC OLIGOSACCHARIDES FOR MORAXELLA VACCINE ANCORA PHARMACEUTICALS INC. (US) 2011-11-03 WO disclosed