SCHEMBL8817239

SCHEMBL8817239

CCC(C)CC(c1ccccc1)(c1ccccc1)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.46
GRIN2A Q12879 6/20 0.46
GRIN2D O15399 5/20 0.46
GRIN2C Q14957 5/20 0.46
GRIN2B Q13224 4/20 0.46
KCNH2 Q12809 2/20 0.39
KIF11 P52732 1/20 0.39
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNN4 O15554 1/20 0.35
OPRM1 P35372 2/20 0.35
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP2B6 P20813 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL1315771 0.81 GRIN1 (0.38) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL28837033 0.78 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL136467 0.74 GRIN1 (0.44) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL22759047 0.74 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL586746 0.74 KCNN4 (0.41) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL9821371 0.74 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL585721 0.74 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL22644724 0.74 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL1314752 0.74 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL7751692 0.73 GRIN1 (0.39) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B

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
JP-9157189-A None JP disclosed
JP-H09157189-A HIGH BOILING AROMATIC HYDROCARBON SOLVENT NIPPON PETROCHEM CO LTD 1997-06-17 JP disclosed