Butanone

Butanone

SCHEMBL8770824

CCC(C)=O.Cc1ccc(CCC(=O)OCCO)cc1

nearest known ligand 0.60

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.60
▸ CYP4A11 Q02928 2/20 0.60
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ APP P05067 2/20 0.43
▸ CYP4Z1 Q86W10 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40

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
Toluene SCHEMBL10792850 0.87 TDP1 (0.65) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL24988200 0.83 CYP4F2 (0.60) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL11985733 0.81 TDP1 (0.59) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL363982 0.81 CYP4F2 (0.77) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL13986591 0.80 CYP4F2 (0.57) CYP4F2CYP4A11TDP1L3MBTL1LMNA
Acetic Acid Butyl Ester SCHEMBL11190343 0.79 CYP4F2 (0.50) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL12009646 0.78 TDP1 (0.59) CYP4F2CYP4A11TDP1LMNAMAPT
SCHEMBL22109660 0.77 TDP1 (0.53) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL12246779 0.77 APP (0.58) CYP4F2CYP4A11TDP1L3MBTL1LMNA
SCHEMBL29048887 0.76 TDP1 (0.58) CYP4F2CYP4A11TDP1MAPTAPP

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
EP-0368320-B1 Heat transfer image-receiving sheet DAINIPPON PRINTING CO LTD (JP) 1997-10-08 — — EP disclosed
EP-0368320-A2 Heat transfer image-receiving sheet DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1990-05-16 — — EP disclosed
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