SCHEMBL818876

SCHEMBL818876

CCOCC(CC(C)C)(C(=O)Cl)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
OPRM1 P35372 2/20 0.37
KCNH2 Q12809 2/20 0.37
CACNA1F O60840 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP2B6 P20813 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 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
SCHEMBL818925 0.85 KCNN4 (0.38) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL888468 0.84 PIN1 (0.42) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL24781345 0.77 ALDH1A1 (0.40) OPRM1DRD3MAPTGAASMN1; SMN2
SCHEMBL819785 0.77 CACNA1G (0.39) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL3827840 0.75 ALDH1A1 (0.46) GAASMN1; SMN2CYP1A2CYP2D6ALDH1A1
SCHEMBL28958376 0.73 ALDH1A1 (0.47) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL888331 0.73 PIN1 (0.42) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL30743861 0.72 HDAC1 (0.46) OPRM1DRD3MAPTGAACYP1A2
SCHEMBL3997241 0.72 CTDSP1 (0.41) KCNH2SMN1; SMN2CYP1A2CYP2D6ALDH1A1
SCHEMBL820212 0.72 CYP2C19 (0.39) MAPTSMN1; SMN2CYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288488-B2 Process for producing solid catalyst component for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110269929-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed