Cyclohexanone

Cyclohexanone

SCHEMBL29201833

CCCCOOCCCC.O=C1CCCCC1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TRIM24 O15164 2/20 0.48
TRIM33 Q9UPN9 2/20 0.48
TSHR P16473 3/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CRBN Q96SW2 1/20 0.32
LMNA P02545 1/20 0.32

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
Cyclohexanone SCHEMBL28101606 0.87 TRIM24 (0.48) ALDH1A1TRIM24TRIM33TSHRMAPK1
Cyclohexanone SCHEMBL28833899 0.85 TRIM24 (0.46) ALDH1A1TRIM24TRIM33TSHRPOLB
Cyclohexanone SCHEMBL14919548 0.84 TRIM24 (0.61) ALDH1A1TRIM24TRIM33TSHRCNR2
Cyclohexanone SCHEMBL16060144 0.84 TRIM24 (0.61) ALDH1A1TRIM24TRIM33TSHRCNR2
Cyclohexanone SCHEMBL27684650 0.81 TRIM24 (0.58) ALDH1A1TRIM24TRIM33TSHR
Heptane SCHEMBL18422382 0.81 TRIM24 (0.58) ALDH1A1TRIM24TRIM33TSHR
Cyclooctanone SCHEMBL487407 0.81 TRIM24 (0.58) ALDH1A1TRIM24TRIM33TSHR
Octane SCHEMBL486879 0.81 TRIM24 (0.58) ALDH1A1TRIM24TRIM33TSHR
Cyclopentanone SCHEMBL27766726 0.81 TRIM24 (0.59) ALDH1A1TRIM24TRIM33TSHRCNR2
Cyclohexane SCHEMBL27677339 0.81 ADRB2 (0.45) ALDH1A1TSHRL3MBTL1MAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118325422-A Photo-initiation front line polymerization-based epoxy anti-corrosion coating and preparation method thereof 南昌航空大学 2024-07-12 CN claimed
CN-117757123-A Electrolytic tank with graphene coating and preparation method thereof 北京世博金都医药科技发展有限公司 2024-03-26 CN claimed
CN-115044167-B Resin composition and composite material 振石集团华智研究院(浙江)有限公司 2024-01-02 CN claimed
CN-118325422-A Photo-initiation front line polymerization-based epoxy anti-corrosion coating and preparation method thereof 南昌航空大学 2024-07-12 CN disclosed
CN-117757123-A Electrolytic tank with graphene coating and preparation method thereof 北京世博金都医药科技发展有限公司 2024-03-26 CN disclosed
CN-115044167-B Resin composition and composite material 振石集团华智研究院(浙江)有限公司 2024-01-02 CN disclosed