Acetone

Acetone

SCHEMBL8003199

CC(C)=O.CCCCCCCCCCCC(=O)OCCCCCCCC

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.80
NAAA Q02083 1/20 0.67
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
DNM1 Q05193 1/20 0.65
HTR2C P28335 1/20 0.62
PAM P19021 2/20 0.60
TSHR P16473 3/20 0.56
MAPT P10636 1/20 0.56
RAD52 P43351 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
FAAH O00519 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL25245996 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL25245209 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL25245190 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL25244738 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL25243138 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL25243121 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL23042055 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL23041629 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL23041315 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL25245494 0.96 DGKA (0.87) DGKANAAAPRSS1PRSS2PRSS3

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
EP-1011609-A4 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 2000-08-16 EP disclosed
EP-1011609-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 2000-06-28 EP disclosed
WO-1998048768-A9 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 1999-03-25 WO disclosed
WO-1998050005-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-12 WO disclosed