Acetone

Acetone

SCHEMBL12482998

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.44
SLC15A1 P46059 1/20 0.44
EPHX1 P07099 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP8 P22894 1/20 0.42
LTA4H P09960 2/20 0.42
PSAT1 Q9Y617 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
SCHEMBL2336410 0.95 SRR (0.55) SRRALPIPKMPTGS1XIAP
SCHEMBL28230064 0.81 ALDH1A1 (0.52) SRRALPIPKMPTGS1XIAP
SCHEMBL3980617 0.80 KMT2A (0.55) ALDH1A1CYP1A2NPC1RAB9AMMP8
SCHEMBL299389 0.80 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP
SCHEMBL27632375 0.80 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP
SCHEMBL979240 0.80 KMT2A (0.55) ALDH1A1CYP1A2NPC1RAB9AMMP8
SCHEMBL180159 0.80 KMT2A (0.55) ALDH1A1CYP1A2NPC1RAB9AMMP8
SCHEMBL5968413 0.80 SLC7A5 (0.66) SRRALPIPKMPTGS1XIAP
SCHEMBL8583257 0.80 ALPI (0.47) SRRALPIPKMPTGS1XIAP
Acetone SCHEMBL16013120 0.80 ALPI (0.59) SRRALPIPKMPTGS1XIAP

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