Acetophenone

Acetophenone

SCHEMBL28907154

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.42
MAOB P27338 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 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
Acetophenone SCHEMBL28521015 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1HPGDLMNA
Propiophenone SCHEMBL28512012 0.81 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1HPGDLMNA
Acetophenone SCHEMBL28519004 0.79 MAPT (0.47) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL442093 0.79 TSHR (0.59) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL14770956 0.79 TSHR (0.59) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL14770954 0.79 TSHR (0.59) SMN1; SMN2MAPTALDH1A1LMNARAB9A
Acetophenone SCHEMBL28762993 0.78 MAPT (0.60) SMN1; SMN2MAPTALDH1A1HPGDLMNA
Acetophenone SCHEMBL10608667 0.78 MAPT (0.60) SMN1; SMN2MAPTALDH1A1HPGDLMNA
Acetophenone SCHEMBL1450855 0.77
Acetophenone SCHEMBL737 0.77

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-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
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