SCHEMBL28064844

SCHEMBL28064844

CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].[Ba+2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CES2 O00748 3/20 0.40
BLM P54132 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAAH O00519 4/20 0.36
CES1 P23141 4/20 0.36
PLA2G6 O60733 1/20 0.36
CA2 P00918 2/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
LMNA P02545 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
SCHEMBL9721152 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL27677360 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL27695956 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL11841378 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL11311323 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL6129205 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL11155573 0.96 CA1 (0.42) CA1CES2BLMGMNNTP53
SCHEMBL17868326 0.95 CA1 (0.41) CA1CES2BLMGMNNTP53
SCHEMBL2934241 0.93 CA1 (0.39) CA1CES2BLMGMNNTP53
SCHEMBL11508631 0.93 CA1 (0.39) CA1CES2BLMGMNNTP53

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
CN-105504576-A Modified pyrophyllite for high-weather-resistance polyethylene cable material and preparation method thereof Zhongguan cable co ltd 2016-04-20 CN claimed
CN-105504576-A Modified pyrophyllite for high-weather-resistance polyethylene cable material and preparation method thereof Zhongguan cable co ltd 2016-04-20 CN disclosed