SCHEMBL1275699

SCHEMBL1275699

N#C/C=C(\C(=O)O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
AKR1C2 P52895 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CDC25B P30305 1/20 0.47
MMP3 P08254 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTPN1 P18031 1/20 0.44
PLK1 P53350 1/20 0.44
KMT2A Q03164 2/20 0.43

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
SCHEMBL1275700 1.00 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11127306 0.80 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11149495 0.80 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11149500 0.80 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11127311 0.80 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL30507856 0.80 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11257067 0.78 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11551904 0.78 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11257065 0.78 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL7028822 0.78 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6

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
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US claimed
US-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US claimed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US claimed
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO claimed
EP-3947586-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2022-02-09 EP disclosed
US-20220033544-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2022-02-03 US disclosed
WO-2020206405-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-10-08 WO disclosed
EP-2999689-B1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-10-04 EP disclosed
US-9528034-B2 Cyanoacrylate compositions Henkel IP & Holding GmbH (DE) 2016-12-27 US disclosed
EP-2999689-A1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2016-03-30 EP disclosed
US-20160017189-A1 CYANOACRYLATE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2016-01-21 US disclosed
WO-2014189938-A1 CYANOACRYLATE COMPOSITIONS Henkel US IP LLC (US) 2014-11-27 WO disclosed
EP-1951831-B1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO KGAA (DE) 2011-02-23 EP disclosed
EP-1951831-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER Henkel AG & Co. KGaA (DE) 2008-08-06 EP disclosed
EP-1945702-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER Henkel AG & Co. KGaA (DE) 2008-07-23 EP disclosed
WO-2007054113-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
WO-2007054112-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US disclosed
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO disclosed