SCHEMBL888518

SCHEMBL888518

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SRC P12931 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CTRB1 P17538 1/20 0.36
KIF11 P52732 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 2/20 0.36
GRIN2D O15399 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 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
SCHEMBL25477179 0.87 KCNN4 (0.58) KCNN4SMN1; SMN2SRCOPRM1OPRD1
SCHEMBL888331 0.87 PIN1 (0.42) KCNN4SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL818925 0.85 KCNN4 (0.38) KCNN4GAASMN1; SMN2OPRM1OPRD1
SCHEMBL3998936 0.78 KCNN4 (0.51) KCNN4SMN1; SMN2SRCOPRM1OPRD1
SCHEMBL4009225 0.78 KCNN4 (0.55) KCNN4GAASMN1; SMN2SRCOPRM1
SCHEMBL16732258 0.78 KCNN4 (0.55) KCNN4GAASMN1; SMN2SRCOPRM1
SCHEMBL25477183 0.77 KCNN4 (0.48) KCNN4SRCOPRM1OPRD1MEN1
SCHEMBL25477181 0.77 ALDH1A1 (0.52) KCNN4SMN1; SMN2KMT2ACYP1A2CYP2D6
SCHEMBL3953823 0.76 KCNN4 (0.53) KCNN4GAASMN1; SMN2SRCOPRM1
SCHEMBL888468 0.75 PIN1 (0.42) SMN1; SMN2OPRM1OPRD1MEN1KMT2A

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
US-20130190464-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed