SCHEMBL3227461

SCHEMBL3227461

CCN(CC)CC(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.39
OPRK1 P41145 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
NR1I3 Q14994 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AGTR1 P30556 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL22753512 0.88 LMNA (0.45) LMNATSHRALDH1A1CYP2D6MAPT
SCHEMBL16782930 0.84 LMNA (0.42) LMNATSHRALDH1A1CYP2D6MAPT
SCHEMBL28157635 0.82 LMNA (0.45) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL16782925 0.80 TDP1 (0.42) LMNATSHRCHRM2ALDH1A1CYP2D6
SCHEMBL28206895 0.79 FAAH (0.42) LMNATSHROPRK1CHRM1CHRM3
SCHEMBL5969866 0.79 LMNA (0.57) LMNATSHRALDH1A1MAPT
SCHEMBL21667765 0.77 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
Benzene SCHEMBL27990619 0.77 TSHR (0.47) LMNATSHRCHRM2ALDH1A1MAPT
SCHEMBL12230753 0.76 LMNA (0.43) LMNATSHRALDH1A1CYP2D6MAPT
SCHEMBL27501831 0.75 ALDH1A1 (0.43) LMNAOPRK1CHRM2CHRM4CHRM5

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-8216750-B2 Colored composition, color filter and manufacturing method thereof TOPPAN PRINTING CO., LTD. (JP) 2012-07-10 US disclosed
US-20100253888-A1 Colored composition, color filter and method of manufacturing the same TOPPAN PRINTING CO., LTD. (JP) 2010-10-07 US disclosed
US-20090311479-A1 Colored composition, color filter and manufacturing method thereof TOPPAN PRINTING CO., LTD. 2009-12-17 US disclosed