SCHEMBL9970451

SCHEMBL9970451

[C-]#[N+]/C(C#N)=C1\CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.37
ALDH1A1 P00352 4/20 0.35
ESR1 P03372 1/20 0.35
CYP19A1 P11511 1/20 0.35
ESR2 Q92731 1/20 0.35
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC22A1 O15245 1/20 0.31
CACNA1F O60840 1/20 0.31
NTRK1 P04629 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL9881029 1.00 CES1 (0.37) CES1ALDH1A1ESR1CYP19A1ESR2
SCHEMBL31571396 1.00 CES1 (0.37) CES1ALDH1A1ESR1CYP19A1ESR2
SCHEMBL810214 0.90 CYP2A6 (0.40) CES1ALDH1A1ESR1CYP19A1GAA
SCHEMBL9970452 0.83 HSD17B10 (0.45) ALDH1A1HPGDCYP1A2PARP1HSD17B10
SCHEMBL9970453 0.81 EGFR (0.40) ALDH1A1EGFRMEN1KMT2A
SCHEMBL9970447 0.79
SCHEMBL10018093 0.79
SCHEMBL30067338 0.77 EGFR (0.55) CES1ALDH1A1ESR1CYP19A1ESR2
SCHEMBL255282 0.77 EGFR (0.55) CES1ALDH1A1ESR1CYP19A1ESR2
SCHEMBL4407899 0.74 CES1 (0.41) CES1ALDH1A1ESR1CYP19A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130170016-A1 PHOTOREFRACTIVE DEVICE CONTAINING A CHROMOPHORE-DOPED POLYMER LAYER AND ITS MANUFACTURING METHOD NITTO DENKO CORPORATION (JP) 2013-07-04 US disclosed
US-20130163086-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE BY UTILIZING ELECTROLYTES NITTO DENKO CORPORATION (JP) 2013-06-27 US disclosed
US-20130128339-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2013-05-23 US disclosed
US-20120275007-A1 OPTICAL DEVICES FOR MODULATING LIGHT OF PHOTOREFRACTIVE COMPOSITIONS WITH THERMAL CONTROL NITTO DENKO CORPORATION (JP) 2012-11-01 US disclosed
US-8203780-B2 Systems and methods for improving the performance of a photorefractive device NITTO DENKO CORPORATION (JP) 2012-06-19 US disclosed
US-20110262845-A1 METHOD FOR MODULATING LIGHT OF PHOTOREFRACTIVE COMPOSITION WITHOUT EXTERNAL BIAS VOLTAGE NITTO DENKO CORPORATION 2011-10-27 US disclosed
US-7985356-B2 Non-linear optical device sensitive to green laser NITTO DENKO CORPORATION (JP) 2011-07-26 US disclosed
US-7736548-B2 Non-linear optical device with long grating persistency NITTO DENKO CORPORATION (JP) 2010-06-15 US disclosed
US-20100099789-A1 METHOD FOR MODULATING LIGHT OF PHOTOREFRACTIVE COMPOSITION NITTO DENKO CORPORATION (JP) 2010-04-22 US disclosed
US-20100060975-A1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE NITTO DENKO CORPORATION (JP) 2010-03-11 US disclosed
US-20090197186-A1 OPTICAL DEVICES RESPONSIVE TO BLUE LASER AND METHOD OF MODULATING LIGHT NITTO DENKO CORPORATION (JP) 2009-08-06 US disclosed
US-20090052009-A1 NON-LINEAR OPTICAL DEVICE SENSITIVE TO GREEN LASER NITTO DENKO CORPORATION (JP) 2009-02-26 US disclosed
US-20080039603-A1 NON-LINEAR OPTICAL DEVICE WITH LONG GRATING PERSISTENCY NITTO DENKO CORPORATION (JP) 2008-02-14 US disclosed
US-7317058-B2 (Meth)acrylate polymer and non-linear optical device material composition NITTO DENKO CORPORATION (JP) 2008-01-08 US disclosed
US-7250121-B2 Non-linear optical device material composition NITTO DENKO CORPORATION (JP) 2007-07-31 US disclosed