Acetophenone

Acetophenone

SCHEMBL28515274

CC(=O)c1ccccc1.CCCC(C)(C)OC(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HTR1A P08908 1/20 0.39
SCN1A P35498 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
HPGD P15428 2/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 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
Acetophenone SCHEMBL28515276 0.91 CES2 (0.41) LMNASMN1; SMN2MAPTMAOBALDH1A1
Acetophenone SCHEMBL28519401 0.87 CYP2C19 (0.45) LMNASMN1; SMN2MAPTMAOBALDH1A1
SCHEMBL12394143 0.81 CYP2D6 (0.54) LMNASMN1; SMN2MAPTALDH1A1CYP2D6
SCHEMBL609525 0.80 LMNA (0.39) LMNAALDH1A1TDP1CES2HSD17B10
Acetophenone SCHEMBL28515261 0.79 SMN1; SMN2 (0.50) LMNASMN1; SMN2MAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL11627695 0.78 LMNA (0.38) LMNAALDH1A1HSD17B10
Acetophenone SCHEMBL460178 0.76 SMN1; SMN2 (0.60) LMNASMN1; SMN2MAPTMAOBALDH1A1
SCHEMBL391036 0.76 TDP1 (0.50) LMNAMAPTALDH1A1CYP2D6CYP1A2
Benzoic Acid SCHEMBL28723017 0.76 TSHR (0.44) LMNAMAPTALDH1A1CYP2D6L3MBTL1
Acetophenone SCHEMBL11157653 0.75 LMNA (0.53) LMNASMN1; SMN2MAPTMAOBALDH1A1

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-109111537-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed
CN-109111538-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-02-05 CN disclosed
CN-109111539-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-02-05 CN disclosed