SCHEMBL5709306

SCHEMBL5709306

CCN(CC)C(=Cc1ccccc1)c1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP2A6 P11509 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1I2 O75469 1/20 0.38
AKR1C3 P42330 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL11206642 0.88 NPC1 (0.49) ALDH1A1L3MBTL1NPC1HPGDMAPT
SCHEMBL12411252 0.88 NPC1 (0.49) ALDH1A1L3MBTL1NPC1HPGDMAPT
SCHEMBL7944757 0.85 ALDH1A1 (0.48) ALDH1A1CYP2A6MAPTTSHRALDH3A1
SCHEMBL9804059 0.80 CYP19A1 (0.47) ALDH1A1L3MBTL1NPC1HPGDMAPT
SCHEMBL9798372 0.79 TDP1 (0.47) NPC1HPGDLMNATDP1GAA
SCHEMBL9615237 0.76 MEN1 (0.41) ALDH1A1CYP2A6L3MBTL1NPC1TSHR
SCHEMBL629143 0.75 ALDH1A1 (0.52) ALDH1A1CYP2A6L3MBTL1NPC1HPGD
SCHEMBL12172154 0.74 ESR1 (0.64) ALDH1A1CYP2A6HPGDMAPTTSHR
Benzaldehyde SCHEMBL9780149 0.73 ALDH1A1 (0.70) ALDH1A1CYP2A6L3MBTL1NPC1TSHR
Benzaldehyde SCHEMBL27520789 0.73 ALDH1A1 (0.78) ALDH1A1CYP2A6L3MBTL1NPC1TSHR

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
EP-1052291-B1 Fluorescent stain containing pyrylium salt or its similar salt, detection method of nucleic acid by use of it CANON KK (JP) 2006-10-25 EP disclosed
EP-0684239-B1 A method for detecting a target substance in a sample, utilizing pyrylium compound CANON KK (JP) 2003-12-10 EP disclosed
EP-0643140-B1 Determination of nucleic acid by PCR, measurement of number of microbial cells, genes, or gene-copies by PCR, and measuring-kit employed for the same CANON KK (JP) 2001-10-31 EP disclosed
EP-0603783-B1 Fluorescent stain containing pyrylium salt or its similar salt, detection method of nucleic acid by use of it CANON KK (JP) 2001-09-26 EP disclosed
US-6242477-B1 RADIATING AND KILLING CANCER CELLS CANON KABUSHIKI KAISHA (JP) 2001-06-05 US disclosed
US-6156506-A Method for detecting a target substance in a sample, utilizing pyrylium compound CANON KABUSHIKI KAISHA (JP) 2000-12-05 US disclosed
EP-1052291-A2 Fluorescent stain containing pyrylium salt or its similar salt, detection method of nucleic acid by use of it CANON KABUSHIKI KAISHA (JP) 2000-11-15 EP disclosed
US-6124342-A RADIATION THERAPY TO INDUCE DEATH OF THE CANCER CELLS CANON KK (JP) 2000-09-26 US disclosed
US-6022961-A HYBRIDIZATION PROBE OF SINGLE-STRANDED NUCLEIC ACID HAVING NUCLEOTIDE SEQUENCE COMPLEMENTARY TO TARGET AND WITH COVALENTLY BOUND DYE CANON KABUSHIKI KAISHA (JP) 2000-02-08 US disclosed
US-5670315-A AMPLIFICATION; QUANTITATIVE ANALYSIS CANON KABUSHIKI KAISHA (JP) 1997-09-23 US disclosed
US-5624798-A Detection method of nucleic acid by use of fluorescent pyrylium stain in intercalation into nucleic acids CANON KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed
EP-0684239-A1 A method for detecting a target substance in a sample, utilizing pyrylium compound CANON KABUSHIKI KAISHA (JP) 1995-11-29 EP disclosed
EP-0659407-A1 Pharmaceutical compositions containing pyrylium compounds, pyrylium salts and process for manufacturing a medicament containing the aforesaid compounds CANON KABUSHIKI KAISHA (JP) 1995-06-28 EP disclosed
EP-0643140-A1 Determination of nucleic acid by PCR, measurement of number of microbial cells, genes, or gene-copies by PCR, and measuring-kit employed for the same CANON KABUSHIKI KAISHA (JP) 1995-03-15 EP disclosed
EP-0603783-A1 Fluorescent stain containing pyrylium salt or its similar salt, detection method of nucleic acid by use of it, and fluorescent staining method of biological sample CANON KABUSHIKI KAISHA (JP) 1994-06-29 EP disclosed