Acetone

Acetone

SCHEMBL8469766

CC(C)=O.CC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KMT2A Q03164 2/20 0.46
GPR3 P46089 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
APAF1 O14727 1/20 0.39

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 SCHEMBL4820941 0.91 HTR7 (0.50) POLBHTR7HTR2BHDAC3HDAC4
SCHEMBL29641604 0.87 GPR3 (0.52) POLBHTR7HTR2BHDAC3HDAC4
SCHEMBL40599 0.87 GPR3 (0.52) POLBHTR7HTR2BHDAC3HDAC4
SCHEMBL10965346 0.81 HTR7 (0.62) POLBHTR7HTR2BKMT2AMEN1
SCHEMBL6901219 0.78 CDC25B (0.52) POLBHTR7HTR2BNCOR2KMT2A
SCHEMBL30045412 0.78 HTR7 (0.40) POLBHTR7HTR2BHDAC3HDAC4
SCHEMBL26119869 0.77 TTR (0.51) POLBHTR7HTR2BKMT2AMEN1
SCHEMBL30571871 0.77 HTR7 (0.62) POLBHTR7HTR2BKMT2AMEN1
SCHEMBL7825562 0.77 HTR7 (0.62) POLBHTR7HTR2BKMT2AMEN1
SCHEMBL7043488 0.76 HDAC3 (0.57) POLBHDAC3HDAC4HDAC7HDAC8

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-0848693-A4 ISOMERIZATION OF BISPHENOLS DOW CHEMICAL CO (US) 1999-03-17 EP disclosed
EP-0848693-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1998-06-24 EP disclosed
WO-1997008122-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO disclosed