SCHEMBL28090261

SCHEMBL28090261

CCCCCOC(N)=S.CCO[Si](CC)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
LPAR2 Q9HBW0 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
NAAA Q02083 1/20 0.35
EPHX1 P07099 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HTR2C P28335 1/20 0.33
TSHR P16473 3/20 0.33
HCAR2 Q8TDS4 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL28850904 0.84 CA12 (0.46) CA12CA1CA2CA9LPAR2
SCHEMBL9870205 0.83 CA12 (0.60) CA12CA1CA2CA9LPAR2
SCHEMBL28672 0.83
SCHEMBL28359055 0.81 CA12 (0.59) CA12CA1CA2CA9LPAR2
Dodecane SCHEMBL28866604 0.81 CA12 (0.59) CA12CA1CA2CA9LPAR2
SCHEMBL12095457 0.81 CA12 (0.59) CA12CA1CA2CA9LPAR2
SCHEMBL701004 0.81 CA12 (0.58) CA12CA1CA2CA9LPAR2
SCHEMBL28414740 0.81 CA12 (0.59) CA12CA1CA2CA9LPAR2
SCHEMBL8503286 0.81 CA12 (0.58) CA12CA1CA2CA9LPAR2
SCHEMBL9784644 0.81 CA12 (0.59) CA12CA1CA2CA9LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110527157-A Rubber composition for tire tread and pneumatic tire SUMITOMO RUBBER IND 2019-12-03 CN disclosed
CN-110494480-A Rubber composition, the manufacturing method of rubber composition and tire BRIDGESTONE CORP 2019-11-22 CN disclosed
CN-106661237-B Method of the manufacture for tire and the rubber composition of pneumatic tire 住友橡胶工业株式会社 2019-02-15 CN disclosed
CN-104220227-B Sulfide and preparation method thereof 电化株式会社 2017-12-15 CN disclosed
CN-106661237-A Method for producing rubber composition for tires, and pneumatic tire 住友橡胶工业株式会社 2017-05-10 CN disclosed
CN-106661330-A Curable composition, method for manufacturing curable composition, cured product, method for using curable composition, and optical device 琳得科株式会社 2017-05-10 CN disclosed
CN-104011114-B The manufacture method of rubber composition 株式会社普利司通 2016-08-24 CN disclosed