SCHEMBL818925

SCHEMBL818925

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
OPRM1 P35372 2/20 0.35
KCNH2 Q12809 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
CACNA1D Q01668 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
SCHEMBL818876 0.85 GRIN2D (0.37) KCNN4GAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL888518 0.85 KCNN4 (0.49) KCNN4GAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL888331 0.81 PIN1 (0.42) KCNN4SMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL25477181 0.77 ALDH1A1 (0.52) KCNN4SMN1; SMN2CYP1A2CYP2D6ALDH1A1
SCHEMBL24781344 0.75 KCNN4 (0.46) KCNN4SMN1; SMN2CYP1A2CYP2D6ALDH1A1
SCHEMBL818203 0.75 CYP1A2 (0.41) KCNN4CYP1A2CYP2D6GRIN2DGRIN1
SCHEMBL3997241 0.74 CTDSP1 (0.41) SMN1; SMN2CYP1A2CYP2D6KCNH2ALDH1A1
SCHEMBL25477179 0.74 KCNN4 (0.58) KCNN4SMN1; SMN2OPRM1OPRD1ALDH1A1
SCHEMBL25477183 0.74 KCNN4 (0.48) KCNN4OPRM1DRD3OPRD1ALDH1A1
SCHEMBL3862385 0.72 CYP2C19 (0.43) KCNN4GAASMN1; SMN2CYP1A2CYP2D6

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