SCHEMBL2773070

SCHEMBL2773070

C=C(C(=O)NNCCCCCCCCCCCC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 5/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CASP2 P42575 1/20 0.38
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP8 P22894 1/20 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
SCHEMBL19467928 0.85 HDAC3 (0.36) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28073685 0.82 EPHX1 (0.53) EPHX1ZDHHC20ZDHHC2CASP2MMP8
SCHEMBL179753 0.80 EPHX1 (0.45) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL28502150 0.80 EPHX1 (0.45) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL3278957 0.79 HDAC3 (0.44) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL3279962 0.78 HDAC1 (0.44) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL10760006 0.77
SCHEMBL3282425 0.77 HDAC3 (0.43) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL3279737 0.77 CASP2 (0.47) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL3278185 0.77 HDAC3 (0.42) EPHX1HDAC1HDAC3HDAC2HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357884-B2 COMPOSITION FOR TREATING KERATINOUS MATERIALS COMPRISING A CATIONIC POLY(ALKYL) VINYLLACTAM POLYMER AND A CONDITIONING AGENT OREAL (FR) 2019-11-13 EP disclosed
EP-1357884-B1 COMPOSITION FOR TREATING KERATINOUS MATERIALS COMPRISING A CATIONIC POLY(ALKYL) VINYLLACTAM POLYMER AND A CONDITIONING AGENT OREAL (FR) 2010-04-28 EP disclosed
EP-1413289-B1 Composition for oxidative dyeing of keratinous fibres containing a cationic polyvinyllactam and at least one C10-C14 fatty alcohol, and methods and kits for oxidative dyeing process OREAL (FR) 2008-07-23 EP disclosed
EP-1357890-B1 OXIDISING COMPOSITION FOR THE TREATMENT OF KERATIN COMPRISING A CATIONIC POLY(VINYLLACTAM) OREAL (FR) 2005-12-28 EP disclosed
EP-1357885-B1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES COMPRISING A CATIONIC POLY(VINYLLACTAM) OREAL (FR) 2005-12-28 EP disclosed
EP-1357886-B1 COMPOSITION FOR DIRECT DYEING OF KERATINOUS FIBRES COMPRISING A POLY(VINYLLACTAM) OREAL (FR) 2005-12-28 EP disclosed
EP-1413287-B1 Oxidation dyeing composition for keratin fibres comprising a cationic poly(vinyllactam)and at least a C10-C14 fatty acid, and the dyeing process and used devices OREAL (FR) 2005-12-14 EP disclosed
EP-1413287-A1 Oxidation dyeing composition for keratin fibres comprising a cationic poly(vinyllactam)and at least a C10-C14 fatty acid, and the dyeing process and used devices L'OREAL (FR) 2004-04-28 EP disclosed
EP-1413289-A1 Composition for oxidative dyeing of keratinous fibres containing a cationic polyvinyllactam and at least one C10-C14 fatty alcohol, and methods and device for oxidative dyeing process L'OREAL (FR) 2004-04-28 EP disclosed
EP-1413288-A1 Composition for oxidative dyeing of keratinous fibres containing a cationic polyvinyllactam and at least one oxidative colourant as sulfate salt L'OREAL (FR) 2004-04-28 EP disclosed
EP-1357884-A1 COMPOSITION FOR TREATING KERATINOUS MATERIALS COMPRISING A CATIONIC POLY(ALKYL) VINYLLACTAM POLYMER AND A PROTECTING OR CONDITIONING AGENT L'OREAL (FR) 2003-11-05 EP disclosed
EP-1357890-A1 OXIDISING COMPOSITION FOR THE TREATMENT OF KERATIN COMPRISING A CATIONIC POLY(VINYLLACTAM) L'OREAL (FR) 2003-11-05 EP disclosed
EP-1357886-A1 COMPOSITION FOR DIRECT DYEING OF KERATINOUS FIBRES COMPRISING A POLY(VINYLLACTAM) L'OREAL (FR) 2003-11-05 EP disclosed
EP-1357885-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES COMPRISING A CATIONIC POLY(VINYLLACTAM) L'OREAL (FR) 2003-11-05 EP disclosed
EP-1357891-A1 REDUCING COMPOSITION FOR TREATING KERATINOUS MATERIALS COMPRISING A CATIONIC POLY(VINYLLACTAM) L'OREAL (FR) 2003-11-05 EP disclosed
WO-2002058646-A1 COMPOSITION FOR TREATING KERATINOUS MATERIALS COMPRISING A CATIONIC POLY(ALKYL) VINYLLACTAM POLYMER AND A PROTECTING OR CONDITIONING AGENT L'OREAL (FR) 2002-08-01 WO disclosed
WO-2002058648-A1 COMPOSITION FOR DIRECT DYEING OF KERATINOUS FIBRES COMPRISING A POLY(VINYLLACTAM) L'OREAL (FR) 2002-08-01 WO disclosed
WO-2002058647-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES COMPRISING A CATIONIC POLY(VINYLLACTAM) L'OREAL (FR) 2002-08-01 WO disclosed
WO-2002058660-A1 OXIDISING COMPOSITION FOR THE TREATMENT OF KERATIN COMPRISING A CATIONIC POLY(VINYLLACTAM) L'OREAL (FR) 2002-08-01 WO disclosed
WO-2002058661-A1 REDUCING COMPOSITION FOR TREATING KERATINOUS MATERIALS COMPRISING A CATIONIC POLY(VINYLLACTAM) L'OREAL (FR) 2002-08-01 WO disclosed