Butanone

Butanone

SCHEMBL11127013

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.CCC(C)=O

nearest known ligand 0.66

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.66
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.49
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
ATM Q13315 1/20 0.40
NAAA Q02083 1/20 0.39
EPHX1 P07099 1/20 0.37
ACHE P22303 6/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL724296 0.95 TSHR (0.72) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL1877021 0.95 TSHR (0.72) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL7572485 0.91 TSHR (0.68) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL10758858 0.90 TSHR (0.66) TSHRALDH1A1THRBPOLBAPEX1
Methacrylic Acid SCHEMBL27388646 0.90 TSHR (0.66) TSHRALDH1A1THRBPOLBAPEX1
Methacrylic Acid SCHEMBL4865839 0.90 TSHR (0.66) TSHRALDH1A1THRBPOLBAPEX1
Butadiene SCHEMBL28265841 0.88 TSHR (0.64) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL3190827 0.88 TSHR (0.86) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL18221812 0.88 TSHR (0.86) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL9299625 0.88 TSHR (0.86) TSHRALDH1A1THRBPOLBAPEX1

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
EP-0060311-B1 COMPOSITION AND PROCESS FOR COATING FILMS TO BE USED IN THE PACKAGING AND WRAPPING FIELD SOCIETA' ITALIANA RESINE S.I.R. S.p.A. (IT) 1984-12-05 EP disclosed