Acetophenone

Acetophenone

SCHEMBL29548786

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

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

The experimentally established mechanism targets of Acetophenone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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 SCHEMBL27552979 0.89 CES2 (0.57) NR4A2SMN1; SMN2MAPTALDH1A1LMNA
Acetophenone SCHEMBL27462873 0.87 MAPT (0.71) SMN1; SMN2MAPTALDH1A1LMNACYP2C19
Acetophenone SCHEMBL719033 0.87 MAPT (0.71) SMN1; SMN2MAPTALDH1A1LMNACYP2C19
Acetophenone SCHEMBL1450855 0.87
Acetophenone SCHEMBL30537005 0.87
Acetophenone SCHEMBL30537000 0.87
Acetophenone SCHEMBL737 0.87
Acetophenone SCHEMBL16745259 0.87
Acetophenone SCHEMBL4730064 0.86 SMN1; SMN2 (0.58) NR4A2SMN1; SMN2MAPTALDH1A1LMNA
Acetophenone SCHEMBL11649558 0.85 MAPT (0.68) SMN1; SMN2MAPTALDH1A1LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071387-A1 POLARIZING FILM, OPTICAL FILM, AND IMAGE DISPLAY DEVICE 日東電工株式会社 2022-04-07 WO disclosed