Acetone

Acetone

SCHEMBL28756352

C1=C(c2ccccc2)C(c2ccccc2)c2ccccc21.CC(C)=O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC4 P56524 3/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 4/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CACNA1D Q01668 1/20 0.33

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
SCHEMBL1387828 0.90 CFTR (0.38) EDNRACFTRGOPCALDH1A1MAPT
Acetamide SCHEMBL8454329 0.75 LMNA (0.35) SMN1; SMN2ALDH1A1TDP1MAPTKDM4E
SCHEMBL5967745 0.74 MEN1 (0.34) CFTRGOPCALDH1A1MAPTLMNA
SCHEMBL6924825 0.73 EGFR (0.37) SMN1; SMN2ALDH1A1KDM4EMEN1CYP3A4
SCHEMBL3214055 0.71 NOS3 (0.38) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL30901177 0.71 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1HDAC4MAPT
SCHEMBL29262856 0.70 EGFR (0.47) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL29262837 0.70 LMNA (0.35) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL4384850 0.70 DRD2 (0.38) CFTRGOPCALDH1A1
SCHEMBL6673270 0.70 GAA (0.35) HDAC4MAPTKDM4EGAALMNA

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
CN-114481139-A Corrosion inhibitor for inhibiting metal corrosion and preparation method and application thereof 中国石油天然气股份有限公司 2022-05-13 CN disclosed