Acetone

Acetone

SCHEMBL28868967

CC(C)=O.O=C1CC(O)C(=O)N1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.43
CRBN Q96SW2 4/20 0.41
MEN1 O00255 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
DDB1 Q16531 3/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGB2 P05107 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30

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
Acetic Acid SCHEMBL1034775 0.93 CRBN (0.44) MAP3K14CRBNMEN1APEX1KMT2A
SCHEMBL11288 0.91
Bicarbonate SCHEMBL14918 0.88 MAP3K14 (0.44) MAP3K14CRBNMEN1APEX1KMT2A
SCHEMBL31244467 0.88
Hydrochloric Acid SCHEMBL3986242 0.88
Phosphine SCHEMBL22345181 0.88
Ammonia Solution, Strong SCHEMBL25176856 0.88
SCHEMBL320576 0.88
Methacrylic Acid SCHEMBL2861566 0.86 MAP3K14 (0.36) MAP3K14CRBNMEN1APEX1KMT2A
SCHEMBL7530545 0.84 MAP3K14 (0.41) MAP3K14CRBNMEN1APEX1KMT2A

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-109232716-A The high penetrating power prodrugs composition of polypeptide and polypeptide related compound 上海泰飞尔生化技术有限公司 2019-01-18 CN disclosed