Ethylbenzene

Ethylbenzene

SCHEMBL16468210

CCc1ccccc1.[Ru]/C1=C/CC/C=C\CC1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
AOC3 Q16853 2/20 0.33
MAOA P21397 2/20 0.33
HSD11B1 P28845 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACHE P22303 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
CHRM2 P08172 1/20 0.30

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
SCHEMBL3275941 0.77
Hydrochloric Acid SCHEMBL28114272 0.74
Ethylbenzene SCHEMBL14060477 0.70 TP53 (0.88) TP53RAB9AKDM4ENPC1TSHR
Ethylbenzene SCHEMBL1331299 0.69
Ethylbenzene SCHEMBL11223212 0.69 TP53 (1.00) TP53RAB9AKDM4ETSHRALDH1A1
Ethylbenzene SCHEMBL3987542 0.69 TP53 (1.00) TP53RAB9AKDM4ETSHRALDH1A1
Ethylbenzene SCHEMBL1332452 0.69
Ethylbenzene SCHEMBL7458207 0.69 TP53 (1.00) TP53RAB9AKDM4ETSHRALDH1A1
Ethylbenzene SCHEMBL1330604 0.69
Ethylbenzene SCHEMBL27395806 0.69 TP53 (1.00) TP53RAB9AKDM4ETSHRALDH1A1

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
US-9347133-B2 Method of depositing a ruthenium metal thin film or ruthenium oxide thin film HANSOL CHEMICAL CO., LTD. (KR) 2016-05-24 US disclosed
US-20150050431-A1 RUTHENIUM COMPOUND HAVING SUPERIOR STEP COVERAGE AND THIN FILM DEPOSITED USING SAME HANSOL CHEMICAL CO., LTD. (KR) 2015-02-19 US disclosed