Acetone

Acetone

SCHEMBL15224657

CC(C)=O.CC(O)C(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RECQL P46063 1/20 0.46
UGT2B7 P16662 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
PTPN7 P35236 1/20 0.44
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
FABP7 O15540 1/20 0.42
FABP3 P05413 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL10325206 0.97 KMT2A (0.54) KMT2AMEN1MAPTTDP1KDM4E
SCHEMBL18256 0.97 KMT2A (0.54) KMT2AMEN1MAPTTDP1KDM4E
Phosphine SCHEMBL9464028 0.95 KMT2A (0.53) KMT2AMEN1MAPTTDP1KDM4E
Hydrochloric Acid SCHEMBL7736403 0.95 KMT2A (0.53) KMT2AMEN1MAPTTDP1KDM4E
Ammonia Solution, Strong SCHEMBL2067052 0.95 KMT2A (0.53) KMT2AMEN1MAPTTDP1KDM4E
Methoxymethane SCHEMBL11657047 0.93 KMT2A (0.51) KMT2AMEN1MAPTTDP1KDM4E
Toluene SCHEMBL11299289 0.89 KMT2A (0.51) KMT2AMEN1MAPTTDP1KDM4E
Phenol SCHEMBL8570756 0.89 KMT2A (0.51) KMT2AMEN1MAPTTDP1KDM4E
Pyrrole SCHEMBL4620322 0.88 KMT2A (0.46) KMT2AMEN1MAPTTDP1KDM4E
Ether SCHEMBL8884821 0.88 PPARG (0.47) KMT2AMEN1MAPTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2634180-A1 Enzymatic process for the preparation of butyrolactones Lonza Ltd. (CH) 2013-09-04 EP disclosed