SCHEMBL4779558

SCHEMBL4779558

CN(C)C(=O)/C=C\C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
DDAH1 O94760 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
FGFR4 P22455 1/20 0.32
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL5176271 1.00 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4DDAH1
SCHEMBL1029179 1.00 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4DDAH1
SCHEMBL1700958 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1577796 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1577795 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL8936205 0.79 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL29462203 0.79 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL29737040 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29394029 0.75 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL156117 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116421719-A PEG (polyethylene glycol) shedding and double-sensitivity nano-drug and preparation method and application thereof 广州医科大学附属第二医院 2023-07-14 CN disclosed
CN-114081948-A PH-responsive nanoparticle self-assembled aggregate molecular probe and preparation method and application thereof 无锡市人民医院 2022-02-25 CN disclosed
WO-2008138621-A2 SYNTHESIS OF AMINOCYCLOPENTANE CARBOXYLIC ACIDS FAUST PHARMACEUTICALS (FR) 2008-11-20 WO disclosed
EP-1992610-A1 New route of synthesis Faust Pharmaceuticals (FR) 2008-11-19 EP disclosed
EP-1281516-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2007-12-19 EP disclosed
EP-1602481-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2007-05-30 EP disclosed
EP-1203659-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2006-05-17 EP disclosed
EP-1602481-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2005-12-07 EP disclosed
US-6951171-B2 Using graft polymer on etched or anodized aluminum substrate FUJI PHOTO FILM CO., LTD. (JP) 2005-10-04 US disclosed
EP-1371500-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2005-09-28 EP disclosed
US-20020068241-A1 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2002-06-06 US disclosed
EP-1203659-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2002-05-08 EP disclosed
US-6379863-B1 LAMINATING HYDROPHOBIC POLYMER ON SUBSTRATE; HEATING TO MAKE HYDROPHILIC; DURABILITY; REDUCED BLEMISHES; STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 2002-04-30 US disclosed
EP-1136281-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-09-26 EP disclosed
US-6153352-A OBTAINED BY LAMINATING ON A SUBSTRATE A LAYER OF HYDROPHOBIC POLYMER AND A LAYER OF HYDROPHILIC POLYMER FUJI PHOTO FILM CO., LTD. (JP) 2000-11-28 US disclosed
EP-1048457-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed
EP-1031414-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-08-30 EP disclosed
EP-0953020-A1 RADIATION CURABLE CONDUCTIVE COATING DISPERSION, PROCESS FOR ITS PREPARATION AND COATINGS MADE OF IT DSM N.V. (NL) 1999-11-03 EP disclosed
EP-0922570-A2 Planographic printing plate precursor and a method for producing a planographic plate Fuji Photo Film Co., Ltd. (JP) 1999-06-16 EP disclosed
WO-1998031754-A1 RADIATION CURABLE CONDUCTIVE COATING DISPERSION, PROCESS FOR ITS PREPARATION AND COATINGS MADE OF IT DSM N.V. (NL) 1998-07-23 WO disclosed