Acetone

Acetone

SCHEMBL11207944

CC(C)=O.CC(C)c1ccc(OO)cc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
HPGD P15428 2/20 0.44
XBP1 P17861 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
TYR P14679 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 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
Bicarbonate SCHEMBL11150406 0.91 RAB9A (0.49) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL18614728 0.91 RAB9A (0.46) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL16628 0.91 RAB9A (0.46) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Methyl Alcohol SCHEMBL7601547 0.89 RAB9A (0.44) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Formaldehyde SCHEMBL8074512 0.87 RAB9A (0.44) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Methacrylic Acid SCHEMBL7943827 0.87 CYP2C9 (0.43) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Benzoquinone SCHEMBL5141654 0.83 TYR (0.44) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL15019624 0.83 RXRA (0.43) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Isopropylbenzene SCHEMBL4795495 0.83 MEN1 (0.46) RAB9AKMT2AMEN1RXRARXRB
Tert-Butyl Hydroperoxide SCHEMBL7636785 0.82 RAB9A (0.40) RAB9AKMT2AMEN1SMN1; SMN2RXRA

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-0008869-B1 PROCESS FOR THE PRODUCTION OF A PHENOL AND A CARBONYL COMPOUND BY THE CATALYSED DECOMPOSITION OF AN AROMATIC HYDROPEROXIDE BP Chemicals Limited (GB) 1983-03-02 EP disclosed
US-4246203-A Process for the production of a phenol and a carbonyl compound by the catalyzed decomposition of an aromatic hydroperoxide BP CHEMICALS LIMITED (GB) 1981-01-20 US disclosed
EP-0008869-A1 Process for the production of a phenol and a carbonyl compound by the catalysed decomposition of an aromatic hydroperoxide BP Chemicals Limited (GB) 1980-03-19 EP disclosed