Acetone

Acetone

SCHEMBL12483000

CC(C)=O.NC(O)(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
BLM P54132 1/20 0.44
FDPS P14324 1/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL16816903 0.94 SMN1; SMN2 (0.67) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL17498702 0.94 SMN1; SMN2 (0.67) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL2336417 0.94 SMN1; SMN2 (0.67) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL20049736 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL28966331 0.78 BLM (0.65) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL17768418 0.78 BLM (0.65) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
Methyl Alcohol SCHEMBL28936665 0.77 SMN1; SMN2 (0.60) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL3956936 0.77 SMN1; SMN2 (0.78) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL3956933 0.77 SMN1; SMN2 (0.78) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL122296 0.76 BLM (0.72) SMN1; SMN2HIF1ASLC6A2TAAR1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2811996-A1 NEW PEDIATRIC USES OF CABAZITAXEL Aventis Pharma S.A. (FR) 2014-12-17 EP disclosed
WO-2013117683-A1 NEW PEDIATRIC USES OF CABAZITAXEL AVENTIS PHARMA S.A. (FR) 2013-08-15 WO disclosed
WO-2012113897-A1 ANTITUMORAL COMBINATION COMPRISING CABAZITAXEL AND CISPLATIN AVENTIS PHARMA S.A. (FR) 2012-08-30 WO disclosed