SCHEMBL9821371

SCHEMBL9821371

[Li]C([Li])(CC(C)CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
KCNN4 O15554 1/20 0.36
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
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11420674 0.85 LTA4H (0.43) ALDH1A1CYP2C19LMNA
SCHEMBL136467 0.84 GRIN1 (0.44) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL7751692 0.82 GRIN1 (0.39) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL9842165 0.82 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL10449747 0.79 GRIN1 (0.37) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL28837033 0.79 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL11432049 0.79 CYP2A6 (0.38) KCNH2ALDH1A1CYP2D6HSD17B10KIF11
SCHEMBL9842171 0.78 TSHR (0.39) KCNH2OPRK1CYP2D6KDM4ELMNA
SCHEMBL11420664 0.78 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL4015805 0.78 GRIN1 (0.40) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3007701-A None JP disclosed
WO-2021256419-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE JSR株式会社 2021-12-23 WO disclosed
WO-2021125259-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE JSR株式会社 2021-06-24 WO disclosed
WO-2021112167-A1 POLYMER COMPOSITION MANUFACTURING METHOD JSR株式会社 2021-06-10 WO disclosed
WO-2021085616-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED-DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED OBJECT, AND TIRE JSR株式会社 2021-05-06 WO disclosed
WO-2021049377-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER AND TIRE JSR株式会社 2021-03-18 WO disclosed
WO-2021020189-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER AND TIRE JSR株式会社 2021-02-04 WO disclosed
WO-2020255823-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE JSR株式会社 2020-12-24 WO disclosed
WO-2020196220-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE JSR株式会社 2020-10-01 WO disclosed
WO-2020196899-A1 HYDROGENATED CONJUGATED DIENE POLYMER, POLYMER COMPOSITION, CROSSLINKED BODY AND TIRE JSR株式会社 2020-10-01 WO disclosed
WO-2020085416-A1 POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE JSR株式会社 2020-04-30 WO disclosed
JP-H037701-A PRODUCTION OF POLYMER BY ANION POLYMERIZATION DOW CHEM CO:THE 1991-01-14 JP disclosed