Ethylbenzene

Ethylbenzene

SCHEMBL28073274

CCc1ccccc1.N#CO

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
CYP2A6 P11509 1/20 0.50
ALDH1A1 P00352 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LPL P06858 1/20 0.39

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
Ethylbenzene SCHEMBL27390450 0.90 TP53 (0.70) TP53CYP2A6ALDH1A1CYP1A1CYP1A2
Ethylbenzene SCHEMBL27500749 0.89 TP53 (0.88) TP53CYP2A6ALDH1A1CYP1A2TSHR
Ethylbenzene SCHEMBL28193346 0.89 TP53 (0.88) TP53CYP2A6ALDH1A1CYP1A2TSHR
Ethylbenzene SCHEMBL27560873 0.87 TP53 (0.74) TP53CYP2A6ALDH1A1CYP1A1CYP1A2
Cyanate SCHEMBL28199830 0.87 CYP2A6 (0.64) TP53CYP2A6ALDH1A1SMN1; SMN2KDM4E
Ethylbenzene SCHEMBL9474534 0.87 TP53 (0.93) TP53CYP2A6ALDH1A1CYP1A2TSHR
Ethylbenzene SCHEMBL11874114 0.87 TP53 (0.93) TP53CYP2A6ALDH1A1CYP1A2TSHR
Ethylbenzene SCHEMBL2091056 0.87
Ethylbenzene SCHEMBL216251 0.87 TP53 (0.93) TP53CYP2A6ALDH1A1CYP1A2TSHR
Ethylbenzene SCHEMBL28009971 0.87 TP53 (0.93) TP53CYP2A6ALDH1A1CYP1A2TSHR

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-105960427-A Resin composition for printed wiring board, prepreg, metal foil-clad laminate, resin composite sheet, and printed wiring board 三菱瓦斯化学株式会社 2016-09-21 CN disclosed
CN-105705578-A Resin composition, prepreg, laminated sheet, and metal-foil-clad laminated board 三菱瓦斯化学株式会社 2016-06-22 CN disclosed