Butadiene

Butadiene

SCHEMBL11243540

C=CC=C.N#CC=CC=Cc1ccccc1.O[Si](O)(O)O

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MCL1 Q07820 2/20 0.40
CYP3A4 P08684 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP1 P03956 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
Butadiene SCHEMBL27850381 0.93 MAOB (0.54) MAOBMCL1CYP3A4HDAC3HDAC4
Butadiene SCHEMBL116599 0.93 MAOB (0.54) MAOBMCL1CYP3A4HDAC3HDAC4
Acrylonitrile SCHEMBL8948878 0.90 MAOB (0.50) MAOBMCL1CYP3A4HDAC3HDAC4
Styrene SCHEMBL461688 0.88 ALDH1A1 (0.48) MAOBMCL1CYP3A4HDAC3HDAC4
Styrene SCHEMBL2880602 0.88 ALDH1A1 (0.48) MAOBMCL1CYP3A4HDAC3HDAC4
SCHEMBL27794334 0.88 MAOB (0.52) MAOBMCL1CYP3A4HDAC3HDAC4
Butadiene SCHEMBL11226612 0.88 MAOB (0.36) MAOBMCL1CYP3A4HDAC3HDAC4
Acrylic Acid SCHEMBL11151829 0.87 MCL1 (0.44) MAOBMCL1CYP3A4HDAC3HDAC4
SCHEMBL9817383 0.86 MAOB (0.50) MAOBMCL1CYP3A4HDAC3HDAC4
SCHEMBL7159537 0.86 MAOB (0.50) MAOBMCL1CYP3A4HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350775-A FOAMED POLYURETHANE ADDITION-CONDENSATION POLYMER PRODUCTS BLOUNT DAVID H 1982-09-21 US disclosed
US-4332926-A Process for the production of alkali metal silicate-organic plastics BLOUNT DAVID H 1982-06-01 US disclosed
US-4303768-A POLYMERIZABLE UNSATURATED COMPOUND, ACID SALT FORMER, CATALYST BLOUNT DAVID H 1981-12-01 US disclosed