SCHEMBL27961069

SCHEMBL27961069

C/C=C/CN(CCCCCCCCCC)CCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.45
DNM1 Q05193 3/20 0.42
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
KDM5A P29375 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
EPHX2 P34913 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34

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
SCHEMBL22157415 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL15901430 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL27961138 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL27961113 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL15901895 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL15901718 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL15901281 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL27961054 1.00 KCNH2 (0.45) KCNH2DNM1TSHRTHRBKDM5A
SCHEMBL22157432 0.98 KCNH2 (0.44) KCNH2DNM1TSHRTHRBKDM5A
Hydrochloric Acid SCHEMBL31156825 0.98 DNM1 (0.44) KCNH2DNM1TSHRTHRBKDM5A

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-103764683-B The manufacture method of modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber combination and tire ASAHI KASEI CHEMICALS CORP. (JP) 2016-01-20 CN disclosed
CN-103764683-A Method for producing modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber composition, and tire ASAHI KASEI CHEMICALS CORP 2014-04-30 CN disclosed