SCHEMBL12866151

SCHEMBL12866151

C[n+]1ccc(/C=C/c2ccc(O)c(O)c2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.67
PKM P14618 4/20 0.66
MAPT P10636 4/20 0.66
RAD52 P43351 3/20 0.66
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
MAPK1 P28482 3/20 0.66
APP P05067 3/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
MEN1 O00255 3/20 0.56
POLB P06746 3/20 0.56
KMT2A Q03164 3/20 0.56
NSD2 O96028 2/20 0.56
LCK P06239 4/20 0.47
NQO2 P16083 2/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12686413 0.92 HTT (0.70) CHATPKMMAPTRAD52HTT
SCHEMBL12976200 0.85 CHAT (0.61) CHATPKMMAPTRAD52HTT
SCHEMBL12866037 0.83 CHAT (0.55) CHATPKMMAPTRAD52HTT
Iodide SCHEMBL6858541 0.81 CHAT (0.67) CHATPKMMAPTRAD52HTT
Iodide SCHEMBL6858540 0.81 CHAT (0.67) CHATPKMMAPTRAD52HTT
SCHEMBL13766059 0.80 CHAT (0.79) CHATPKMMAPTRAD52HTT
SCHEMBL7579535 0.78 CHAT (0.63) CHATPKMMAPTRAD52HTT
SCHEMBL14700346 0.78 CHAT (0.77) CHATPKMMAPTRAD52HTT
SCHEMBL4626052 0.78 CHAT (0.77) CHATPKMMAPTRAD52HTT
SCHEMBL4626049 0.78 CHAT (0.77) CHATPKMMAPTRAD52HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019195430-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UAB RESEARCH FOUNDATION (US) 2019-10-10 WO disclosed
US-8338700-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-8338701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-8338700-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-20110030801-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-20110030801-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-20110031446-A1 Dye-Sensitized Photoelectric Conversion Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed