Acetophenone

Acetophenone

SCHEMBL28515261

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAOB P27338 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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 SCHEMBL27824703 0.83 MAPT (0.54) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
Acetophenone SCHEMBL28519401 0.82 CYP2C19 (0.45) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
Naphthalene SCHEMBL16005359 0.81 ALDH1A1 (0.44) MAPTALDH1A1TSHRHSD17B10TDP1
Acetophenone SCHEMBL30537000 0.80
Acetophenone SCHEMBL737 0.80
Benzene SCHEMBL1003607 0.80 DGAT1 (0.40) ALDH1A1TSHRHSD17B10TDP1RAB9A
Acetophenone SCHEMBL16745259 0.80
Acetophenone SCHEMBL1450855 0.80
Acetophenone SCHEMBL30537005 0.80
Acetophenone SCHEMBL27462873 0.80 MAPT (0.71) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10

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