SCHEMBL10697381

SCHEMBL10697381

CC(C)/C=C(\C(=O)OOC(C)OC(=O)OC(C)OOC(=O)/C(=C\C(C)C)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
OPRM1 P35372 2/20 0.32
KCNH2 Q12809 2/20 0.32
CACNA1F O60840 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP2B6 P20813 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
MRGPRX2 Q96LB1 1/20 0.32

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
SCHEMBL2772373 0.80 MAPT (0.39) MAPTKMT2AGRIN2DGRIN1GRIN2A
SCHEMBL7692607 0.75 CYP1A2 (0.32) MAPTKMT2AKCNH2CYP1A2CYP2D6
SCHEMBL7691672 0.70 GRIN2D (0.30) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL18339128 0.64 MAPT (0.48) MAPTKMT2AGAASMN1; SMN2
SCHEMBL8762526 0.63 CYP2D6 (0.36) CYP2D6
SCHEMBL6898376 0.63 MAPT (0.52) MAPTKMT2ACYP1A2CYP2D6GAA
SCHEMBL464894 0.62
SCHEMBL5901134 0.62 MAPT (0.55) MAPTKMT2ACYP1A2CYP2D6ESR2
Hydrochloric Acid SCHEMBL28209912 0.62 KMT2A (0.50) MAPTKMT2ACYP1A2CYP2D6GAA
SCHEMBL28044958 0.62 MAPT (0.50) MAPTKMT2ACYP1A2CYP2D6NPSR1

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-0289933-A2 Graft polymerization precurser and method manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0277608-A2 Graft polymerization preformer and method of manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-08-10 EP disclosed