Butadiene

Butadiene

SCHEMBL6735917

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

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MAOB P27338 9/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
MAOA P21397 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.47

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
SCHEMBL404591 0.93 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL404592 0.93 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
Acrylic Acid SCHEMBL27861204 0.91 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
Acrylonitrile SCHEMBL10577801 0.91 MCL1 (0.49) HDAC3HDAC4HDAC1HDAC2HDAC8
Maleic Acid SCHEMBL28010782 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC2HDAC8
Acrylonitrile SCHEMBL5153154 0.87 MCL1 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
Juarezic Acid SCHEMBL5517018 0.85 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
Methacrylic Acid SCHEMBL10791017 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
Juarezic Acid SCHEMBL831098 0.84 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
Methacrylic Acid SCHEMBL3609865 0.84 MCL1 (0.43) HDAC3HDAC4HDAC1HDAC2HDAC8

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
CN-105777027-B A kind of emulsion modified cement ceramic tile bond of early-strength two-component polymer and its application method 济南维高建材技术有限公司 2019-05-10 CN disclosed
US-6685966-B1 HYDROPHOBIC MATERIAL DISPERSED IN ADDITION POLYMER ENCAPSULATED IN EXTERNAL COATING OF AN OXIDE AND/OR HYDROXIDE OF ALUMINUM, SILICON, ZIRCONIUM AND/OR A TRANSITION METAL; INTERMEDIATE COATING OF AN ALKALINE EARTH METAL HYDROXIDE RHODIA CHIMIE (FR) 2004-02-03 US disclosed
US-6136891-A ORGANIC POLYMER CORE AND METAL OXIDE COATING, FILLERS OR ADDITIVES FOR PLASTICS OR ELASTOMERS. RHODIA CHIMIE (FR) 2000-10-24 US disclosed