Butanone

Butanone

SCHEMBL28968441

CCC(C)=O.NCCNCCNCCNCCN

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.55
CA6 P23280 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA5B Q9Y2D0 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CA2 P00918 3/20 0.55
CA4 P22748 3/20 0.55
CA5A P35218 3/20 0.55
LMNA P02545 2/20 0.55
CA3 P07451 2/20 0.55
ALOX15 P16050 2/20 0.55
CA1 P00915 1/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.52
PAOX Q6QHF9 6/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
Butanone SCHEMBL29213588 0.89 PAOX (0.47) CA12CA6CA7CA9CA14
SCHEMBL28968431 0.87 CA12 (0.58) CA12CA6CA7CA9CA14
Trientine SCHEMBL8506396 0.85 CA12 (0.55) CA12CA6CA7CA9CA14
Propionic Acid SCHEMBL28252081 0.85 CA12 (0.55) CA12CA6CA7CA9CA14
Trientine SCHEMBL10539067 0.85 CA12 (0.55) CA12CA6CA7CA9CA14
Trientine SCHEMBL29069963 0.85 CA12 (0.55) CA12CA6CA7CA9CA14
Trientine SCHEMBL10875300 0.84 CA12 (0.61) CA12CA6CA7CA9CA14
Trientine SCHEMBL6053124 0.84 CA12 (0.61) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL20531236 0.84 CA12 (0.61) CA12CA6CA7CA9CA14
Trientine SCHEMBL159616 0.84 CA12 (0.61) CA12CA6CA7CA9CA14

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-115653731-A Efficient, clean and simple automobile exhaust absorption device 河北民族师范学院 2023-01-31 CN disclosed