Acetone

Acetone

SCHEMBL5167092

CC(C)=O.CC1CCC(=O)CC1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
ESR2 Q92731 2/20 0.35
CRBN Q96SW2 1/20 0.35
LIPE Q05469 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL27836649 0.89 CRBN (0.41) TLR4ESR2CRBNNOS3NOS1
SCHEMBL104009 0.89
Acetone SCHEMBL3129832 0.80
SCHEMBL441622 0.79
SCHEMBL2689809 0.77 CA1 (0.52) ESR2CRBNNOS3NOS1NOS2
SCHEMBL7934086 0.75 KMT2A (0.54) ESR2CRBNLIPENOS3NOS1
SCHEMBL2691441 0.75 KMT2A (0.54) ESR2CRBNLIPENOS3NOS1
SCHEMBL2197936 0.75 KMT2A (0.54) ESR2CRBNLIPENOS3NOS1
SCHEMBL4415563 0.75 KMT2A (0.54) ESR2CRBNLIPENOS3NOS1
SCHEMBL10861500 0.74 CA1 (0.32) TLR4ESR2CA1CA2CA4

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-0922971-B1 PLASTIC LENSES AND PRIMER COMPOSITION USED FOR COATING THE SAME SDC TECHNOLOGIES ASIA LTD (JP) 2007-04-25 EP disclosed
US-6440568-B1 POLYURETHANE LAYER FORMED ON AT LEAST ONE SIDE OF THE SUBSTRATE AND A SILICON RESIN HARD COAT LAYER ON THE POLYURETHANE LAYER NIPPON ARC CO., LTD. (JP) 2002-08-27 US disclosed
EP-0922971-A1 PLASTIC LENSES AND PRIMER COMPOSITION USED FOR COATING THE SAME NIPPON ARC CO., LTD. (JP) 1999-06-16 EP disclosed