Ethylbenzene

Ethylbenzene

SCHEMBL29123750

C#CC(=O)O.CCc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
ALDH1A1 P00352 4/20 0.48
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
BCL2 P10415 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL27323077 0.84 TP53 (0.78) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL27596106 0.81 TP53 (0.74) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL10979046 0.81 TP53 (0.74) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL28436435 0.81 TP53 (0.74) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL216251 0.81 TP53 (0.93) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL28009971 0.81 TP53 (0.93) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL28056495 0.81 TP53 (0.93) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL9474534 0.81 TP53 (0.93) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL10449540 0.79 TP53 (0.70) TP53ALDH1A1PPARGPPARACES2
Ethylbenzene SCHEMBL30557684 0.79 TP53 (0.70) TP53ALDH1A1PPARGPPARACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903866-A Polyvinyl alcohol modified multifunctional powder slump retaining agent and preparation method thereof 江苏奥莱特新材料股份有限公司 2023-10-20 CN claimed
CN-116217928-B Pyridazinone group-containing high-molecular organic polymer material and preparation method and application thereof 齐鲁工业大学(山东省科学院) 2025-01-28 CN disclosed
CN-116217928-A Pyridazinone group-containing high-molecular organic polymer material and preparation method and application thereof 齐鲁工业大学(山东省科学院) 2023-06-06 CN disclosed