SCHEMBL28159786

SCHEMBL28159786

C=CCC(C)(CC)N(C)NCCCCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.31
EPHX1 P07099 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 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
SCHEMBL28114627 0.67
SCHEMBL9210365 0.67 TSHR (0.41) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL4551351 0.66 TSHR (0.39) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL15477589 0.64 TSHR (0.43) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL2365091 0.64 TSHR (0.43) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL27438292 0.63 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL5823693 0.63 TSHR (0.37) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL7681524 0.63 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRALDH1A1EPHX1
SCHEMBL7282005 0.63 TSHR (0.50) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL578890 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104039139-B Macrostructural surfactant for use as spray drift control agent in pesticide spray applications 阿克佐诺贝尔化学国际公司 2017-06-20 CN claimed