Butadiene

Butadiene

SCHEMBL28116572

C=C(C)C(=O)OC.C=CC=C.CC=Cc1ccccc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
ELANE P08246 1/20 0.38
EGFR P00533 2/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5182050 0.95 ALDH1A1 (0.50) ALDH1A1GLATDP1LMNAMAPT
Acrylic Acid SCHEMBL27790147 0.93 ALDH1A1 (0.44) ALDH1A1GLATDP1LMNAMAPT
Butadiene SCHEMBL28873622 0.88 ALDH1A1 (0.46) ALDH1A1GLATDP1LMNAMAPT
(Z)-1,2-Diphenylethene SCHEMBL5875864 0.87 ALDH1A1 (0.56) ALDH1A1GLATDP1LMNAMAPT
(Z)-1,2-Diphenylethene SCHEMBL5875859 0.87 ALDH1A1 (0.56) ALDH1A1GLATDP1LMNAMAPT
SCHEMBL11232759 0.86 LMNA (0.49) ALDH1A1GLATDP1LMNAMAPT
SCHEMBL27462680 0.86 LMNA (0.49) ALDH1A1GLATDP1LMNAMAPT
Styrene SCHEMBL28372055 0.86 ALDH1A1 (0.50) ALDH1A1GLATDP1LMNAMAPT
Styrene SCHEMBL28367289 0.86 ALDH1A1 (0.50) ALDH1A1GLATDP1LMNAMAPT
Styrene SCHEMBL28324948 0.86 ALDH1A1 (0.50) ALDH1A1GLATDP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380907-A Anti-mildew constructional light-cured paint 成都纳硕科技有限公司 2017-02-08 CN claimed
CN-106280619-A A kind of easy-formation the light for architecture is coating material solidified 成都纳硕科技有限公司 2017-01-04 CN claimed
CN-107641362-A A kind of UV photocurings powdery paints 成都纳硕科技有限公司 2018-01-30 CN disclosed
CN-106380909-A Super fine UV curable powdery paint 成都纳硕科技有限公司 2017-02-08 CN disclosed