Acetone

Acetone

SCHEMBL28833646

CC(C)=O.Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C.O=[Ti]=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NOTUM Q6P988 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HTT P42858 1/20 0.37

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
Acetone SCHEMBL28096853 0.94 KDM4E (0.45) KDM4ENOTUMNPSR1MAPTMEN1
Acetic Acid SCHEMBL27794771 0.89 NOTUM (0.46) KDM4ENOTUMNPSR1MAPTMEN1
Acetic Acid SCHEMBL28115299 0.87 NOTUM (0.45) KDM4ENOTUMNPSR1MAPTMEN1
SCHEMBL29405980 0.87 KDM4E (0.50) KDM4ENOTUMNPSR1MAPTMEN1
SCHEMBL35762 0.87 KDM4E (0.50) KDM4ENOTUMNPSR1MAPTMEN1
Phosphoric Acid SCHEMBL26105449 0.85 KDM4E (0.46) KDM4ENOTUMNPSR1MAPTMEN1
SCHEMBL27845334 0.85 KDM4E (0.49) KDM4ENOTUMNPSR1MAPTMEN1
SCHEMBL28000307 0.85 KDM4E (0.49) KDM4ENOTUMNPSR1MAPTMEN1
SCHEMBL27690512 0.85 KDM4E (0.49) KDM4ENOTUMNPSR1MAPTMEN1
SCHEMBL27262725 0.85 KDM4E (0.49) KDM4ENOTUMNPSR1MAPTMEN1

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
CN-106019438-A Reflecting material based on modified titanium dioxide and preparation method of reflecting material 浙江万基光学有限公司 2016-10-12 CN claimed