Acetone

Acetone

SCHEMBL4624685

CC(C)=O.Cc1c2ccccc2c(C)c2c1ccc1ccccc12

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.81
L3MBTL1 Q9Y468 4/20 0.81
TSHR P16473 3/20 0.81
RAB9A P51151 2/20 0.81
HSD17B10 Q99714 2/20 0.81
CYP3A4 P08684 2/20 0.81
MAPK1 P28482 1/20 0.81
CASP1 P29466 1/20 0.81
CASP7 P55210 1/20 0.81
ATM Q13315 1/20 0.81
HIF1A Q16665 1/20 0.81
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 2/20 0.44
TYMS P04818 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41
HPRT1 P00492 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
SCHEMBL29382459 0.90 HSD17B10 (1.00) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL99213 0.90 HSD17B10 (1.00) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL29531544 0.90 HSD17B10 (1.00) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL29403351 0.90 HSD17B10 (1.00) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL2887419 0.88 HSD17B10 (0.96) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL10519360 0.79 HSD17B10 (0.76) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL7935821 0.78 HPGD (0.58) HPGDL3MBTL1TSHRRAB9AHSD17B10
SCHEMBL15412953 0.78 HSD17B10 (0.76) HPGDL3MBTL1TSHRRAB9AHSD17B10
Chrysene SCHEMBL28443586 0.78 HPRT1 (0.70) HPGDTSHRHSD17B10MAPK1HIF1A
SCHEMBL8781298 0.77 HSD17B10 (0.73) HPGDL3MBTL1TSHRRAB9AHSD17B10

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-1392334-B1 THERAPEUTIC METHODS USING HERBAL COMPOSITIONS GLOBAL CANCER STRATEGIES LTD (CA) 2008-06-11 EP disclosed
US-20050025841-A1 Therapeutic methods using herbal compositions GLOBAL CANCER STRATEGIES LTD. (CA) 2005-02-03 US disclosed
EP-1392334-A2 THERAPEUTIC METHODS USING HERBAL COMPOSITIONS Global Cancer Strategies Ltd. (CA) 2004-03-03 EP disclosed
WO-2002067961-A2 THERAPEUTIC USES OF HERBAL COMPOSITIONS GLOBAL CANCER STRATEGIES LTD. (CA) 2002-09-06 WO disclosed