Acetone

Acetone

SCHEMBL28007682

CC(C)=O.O=C(O)Cc1cccc2ccccc12

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.89
CYP1A2 P05177 1/20 0.56
ATM Q13315 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
AKR1B1 P15121 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
PTGER4 P35408 1/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTNNB1 P35222 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
Acetic Acid SCHEMBL8993573 0.96 TDP1 (0.89) TDP1CYP1A2ATMSIRT5L3MBTL1
Naphthalene SCHEMBL28102503 0.95 TDP1 (0.86) TDP1CYP1A2ATMSIRT5L3MBTL1
Methyl Alcohol SCHEMBL7855695 0.94 TDP1 (0.92) TDP1CYP1A2ATMSIRT5L3MBTL1
SCHEMBL27710793 0.94 TDP1 (1.00) TDP1CYP1A2ATML3MBTL1AKR1B1
SCHEMBL35925 0.94 TDP1 (1.00) TDP1CYP1A2ATML3MBTL1AKR1B1
SCHEMBL29607554 0.94 TDP1 (1.00) TDP1CYP1A2ATML3MBTL1AKR1B1
SCHEMBL11437701 0.92 TDP1 (0.96) TDP1CYP1A2ATML3MBTL1AKR1B1
Ammonia Solution, Strong SCHEMBL2688886 0.92 TDP1 (0.96) TDP1CYP1A2ATML3MBTL1AKR1B1
Hydrochloric Acid SCHEMBL8440785 0.92 TDP1 (0.96) TDP1CYP1A2ATML3MBTL1AKR1B1
Ammonia Solution, Strong SCHEMBL22115500 0.92 TDP1 (0.96) TDP1CYP1A2ATML3MBTL1AKR1B1

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-104611190-A Detection chip determining cell alpha-naphthyl batyrate esterase and reagent thereof TIANJIN LUHAO TECHNOLOGY CO LTD 2015-05-13 CN claimed
CN-114107249-B Method for extracting cowpea esterase by using double aqueous phases based on response surface analysis 上海交通大学 2023-11-24 CN disclosed
CN-113355315-B Preparation method of pullulan-animal esterase composite nanofiber 扬州大学 2023-11-03 CN disclosed
CN-104611190-A Detection chip determining cell alpha-naphthyl batyrate esterase and reagent thereof TIANJIN LUHAO TECHNOLOGY CO LTD 2015-05-13 CN disclosed