Cyclononanone

Cyclononanone

SCHEMBL28385702

N.O=C1CCCCCCCC1

nearest known ligand 0.92

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.92
TRIM33 Q9UPN9 2/20 0.92
ALDH1A1 P00352 1/20 0.92
KMT2A Q03164 1/20 0.35
CRBN Q96SW2 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 1/20 0.33
FKBP5 Q13451 1/20 0.33
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
ESR2 Q92731 1/20 0.30

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
Cycloheptanone SCHEMBL28833619 1.00
Cyclohexanone SCHEMBL4843445 1.00
Cycloheptanone SCHEMBL27306619 0.96 TRIM24 (0.85) TRIM24TRIM33ALDH1A1KMT2ACRBN
Cyclohexanone SCHEMBL27538743 0.96
SCHEMBL25380098 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN
SCHEMBL112034 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN
Cyclohexanone SCHEMBL713141 0.96
SCHEMBL3396727 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN
Cyclohexanone SCHEMBL3299 0.96
SCHEMBL1905857 0.96 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KMT2ACRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018885-B 1, 2-dioxycyclohexene [3,4-f ] nitrogen oxo cyclononane derivative and synthetic method and application thereof 广西师范大学 2021-08-03 CN disclosed
CN-111018885-A 1, 2-dioxycyclohexene [3,4-f ] nitrogen oxo cyclononane derivative and synthetic method and application thereof 广西师范大学 2020-04-17 CN disclosed