Butyramide

Butyramide

SCHEMBL27729699

CCCC(N)=O.NC(=O)CCBr

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SOAT1 P35610 2/20 0.40
FAAH O00519 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
CTSD P07339 1/20 0.39
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 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
Butyramide SCHEMBL27750107 0.86 CES2 (0.43) CES2CES1SOAT1FAAHMEN1
SCHEMBL364663 0.86
Butyramide SCHEMBL29664015 0.86
Butyramide SCHEMBL27345575 0.86 CES2 (0.53) CES2CES1SOAT1FAAHMEN1
Butyramide SCHEMBL8555402 0.86
Butyramide SCHEMBL5681 0.86
Butyramide SCHEMBL29624901 0.83
Butyramide SCHEMBL6779842 0.83
Butyramide SCHEMBL8812155 0.83 CES2 (0.50) CES2CES1SOAT1FAAHMEN1
Butyramide SCHEMBL31742524 0.83

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-101307143-A Organic-inorganic composite lamellar compound with regular arrangement bromium and method for preparing same UNIV SHANGHAI (CN) 2008-11-19 CN claimed
CN-101307143-A Organic-inorganic composite lamellar compound with regular arrangement bromium and method for preparing same UNIV SHANGHAI (CN) 2008-11-19 CN disclosed