Acetone

Acetone

SCHEMBL27932467

CC(C)=O.COC(=O)C1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.68
HTR7 P34969 3/20 0.53
MAPKAPK5 Q8IW41 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
PRMT5 O14744 3/20 0.51
EGFR P00533 3/20 0.51
DRD2 P14416 1/20 0.50

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
SCHEMBL1491406 0.97 MAPKAPK2 (0.71) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
Hydrochloric Acid SCHEMBL28201946 0.96 MAPKAPK2 (0.70) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
SCHEMBL9696707 0.85 MAPKAPK2 (0.77) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL273473 0.84 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
SCHEMBL29808213 0.84 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL10489357 0.84 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL10481507 0.84 MAPKAPK2 (0.67) MAPKAPK2HTR7MAPKAPK5KDM4EHSD17B10
SCHEMBL14924843 0.81 MAPKAPK2 (0.77) MAPKAPK2MAPKAPK5
SCHEMBL1491320 0.81 MAPKAPK2 (1.00) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19
SCHEMBL21465236 0.81 MAPKAPK2 (1.00) MAPKAPK2HTR7MAPKAPK5CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN disclosed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN disclosed