SCHEMBL586746

SCHEMBL586746

CCC(C)CC([Na])(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
GRIN1 Q05586 6/20 0.40
GRIN2A Q12879 6/20 0.40
GRIN2D O15399 5/20 0.40
GRIN2C Q14957 5/20 0.40
GRIN2B Q13224 4/20 0.40
OPRM1 P35372 2/20 0.36
KCNH2 Q12809 2/20 0.36
CACNA1F O60840 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP2B6 P20813 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
MRGPRX2 Q96LB1 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL28837033 0.79 GRIN1 (0.46) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL22759047 0.76 GRIN1 (0.40) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL22644724 0.76 GRIN1 (0.40) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL585721 0.76 GRIN1 (0.40) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9821371 0.76 GRIN1 (0.40) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL136467 0.76 GRIN1 (0.44) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL8817239 0.74 GRIN1 (0.46) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL7751692 0.74 GRIN1 (0.39) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9842165 0.74 GRIN1 (0.42) KCNN4GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL1314755 0.72 GRIN1 (0.37) KCNN4GRIN1GRIN2AGRIN2DGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119749-B2 Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO., LTD. (JP) 2012-02-21 US disclosed
EP-1916262-B1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO (JP) 2012-02-15 EP disclosed
US-20090118450-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO., LTD. (JP) 2009-05-07 US disclosed
EP-1916262-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE Kuraray Co., Ltd. (JP) 2008-04-30 EP disclosed