SCHEMBL748706

SCHEMBL748706

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
MAOB P27338 5/20 0.45
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
PSMD14 O00487 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
TRPA1 O75762 1/20 0.40

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
Methacrylic Acid SCHEMBL574438 0.87 CYP3A4 (0.50) AKR1C3MAOBGLATDP1CYP3A4
Bicarbonate SCHEMBL17180457 0.84 MAOB (0.58) MAOBGLATDP1CYP3A4HDAC3
Butadiene SCHEMBL5964914 0.83 AKR1C3 (0.41) AKR1C3MAOBGLATDP1CYP3A4
SCHEMBL6674900 0.83 MAOB (0.56) MAOBGLATDP1CYP3A4HDAC3
(Z)-1,2-Diphenylethene SCHEMBL27650332 0.82 AKR1C3 (0.63) AKR1C3MAOBGLATDP1HDAC3
Juarezic Acid SCHEMBL1172553 0.82 HDAC3 (0.53) AKR1C3MAOBGLATDP1CYP3A4
Cinnamaldehyde SCHEMBL9725268 0.81 ALDH1A1 (0.64) AKR1C3MAOBGLATDP1CYP3A4
Acrylic Acid SCHEMBL1536199 0.81 MAOB (0.54) MAOBGLATDP1CYP3A4HDAC3
Acetone SCHEMBL10911886 0.81 GLA (0.55) AKR1C3MAOBGLATDP1CYP3A4
Crotonic Acid SCHEMBL10710629 0.81 HDAC3 (0.52) MAOBGLATDP1CYP3A4HDAC3

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129521-B1 IMPROVED SURFACE FINISH FOR COMPOSITE MATERIALS HEXCEL COMPOSITES LTD (GB) 2019-01-02 EP claimed
US-20150197586-A1 NOVEL ELASTOMER MATERIAL, AND METHOD FOR OBTAINING SAME ARKEMA FRANCE (FR) 2015-07-16 US claimed
US-8957162-B2 Elastomer material, and method for obtaining same ARKEMA FRANCE (FR) 2015-02-17 US claimed
US-8889771-B2 Use of molecules carrying associative groups as plasticisers ARKEMA FRANCE (FR) 2014-11-18 US claimed
US-8865806-B2 Molecules carrying associative groups and use thereof as plasticisers ARKEMA FRANCE (FR) 2014-10-21 US claimed
EP-2328956-B1 NOVEL ELASTOMER MATERIAL, AND METHOD FOR OBTAINING SAME ARKEMA FRANCE (FR) 2014-03-05 EP claimed
EP-2483326-B1 COMPOSITION COMPRISING MIXED ELASTOMERS AND SUPRAMOLECULAR POLYMERS ARKEMA FRANCE (FR) 2014-01-22 EP claimed
US-20130210972-A1 MOLECULES CARRYING ASSOCIATIVE GROUPS AND USE THEREOF AS PLASTICISERS ARKEMA FRANCE (FR) 2013-08-15 US claimed
US-20130203944-A1 USE OF MOLECULES CARRYING ASSOCIATIVE GROUPS AS PLASTICISERS ARKEMA FRANCE (FR) 2013-08-08 US claimed
EP-2563853-A1 MOLECULES CARRYING ASSOCIATIVE GROUPS AND USE THEREOF AS PLASTICISERS Arkema France (FR) 2013-03-06 EP claimed
US-20120220725-A1 COMPOSITION INCLUDING A MIXTURE OF ELASTOMER AND SUPRAMOLECULAR POLYMER ARKEMA FRANCE (FR) 2012-08-30 US claimed
EP-2483326-A1 COMPOSITION INCLUDING A MIXTURE OF ELASTOMER AND SUPRAMOLECULAR POLYMER Arkema France (FR) 2012-08-08 EP claimed
US-20120077937-A1 Method For Preparing A Suspension Of PVC Grafted Onto An Elastomer ARKEMA FRANCE (FR) 2012-03-29 US claimed
WO-2011135228-A1 USE OF MOLECULES CARRYING ASSOCIATIVE GROUPS AS PLASTICISERS ARKEMA FRANCE (FR) 2011-11-03 WO claimed
WO-2011135227-A1 MOLECULES CARRYING ASSOCIATIVE GROUPS AND USE THEREOF AS PLASTICISERS ARKEMA FRANCE (FR) 2011-11-03 WO claimed
US-20110183098-A1 NOVEL ELASTOMER MATERIAL, AND METHOD FOR OBTAINING SAME ARKEMA FRANCE (FR) 2011-07-28 US claimed
WO-2011036388-A1 COMPOSITION INCLUDING A MIXTURE OF ELASTOMER AND SUPRAMOLECULAR POLYMER ARKEMA FRANCE (FR) 2011-03-31 WO claimed
US-20100086737-A1 SURFACE FINISH FOR COMPOSITE MATERIALS HEXCEL COMPOSITES LIMITED (GB) 2010-04-08 US claimed
EP-2129521-A1 IMPROVED SURFACE FINISH FOR COMPOSITE MATERIALS Hexcel Composites, Ltd. (GB) 2009-12-09 EP claimed
WO-2008104822-A1 IMPROVED SURFACE FINISH FOR COMPOSITE MATERIALS HEXCEL COMPOSITES, LTD. (US) 2008-09-04 WO claimed