SCHEMBL12866172

SCHEMBL12866172

CN(C)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.66
LCK P06239 3/20 0.65
PTGS1 P23219 1/20 0.65
NQO2 P16083 3/20 0.62
RELA Q04206 2/20 0.58
ALOX12 P18054 2/20 0.55
ALOX15 P16050 2/20 0.55
CASP1 P29466 2/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RGS12 O14924 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL16317470 0.84 APP (0.59) APPPTGS1NQO2RELAALOX15
SCHEMBL13264715 0.84 APP (0.59) APPPTGS1NQO2RELAALOX15
SCHEMBL10335571 0.83 LCK (0.94) APPLCKPTGS1NQO2RELA
SCHEMBL4259770 0.81 NQO2 (0.73) APPPTGS1NQO2MAPTCYP1A2
SCHEMBL4259767 0.81 NQO2 (0.73) APPPTGS1NQO2MAPTCYP1A2
SCHEMBL13467434 0.81 RELA (0.81) APPPTGS1NQO2RELAALOX15
SCHEMBL31706727 0.81 LCK (1.00) APPLCKPTGS1NQO2RELA
SCHEMBL1714446 0.81 RELA (0.81) APPPTGS1NQO2RELAALOX15
SCHEMBL7915381 0.81 RELA (0.81) APPPTGS1NQO2RELAALOX15
SCHEMBL1824176 0.81 LCK (1.00) APPLCKPTGS1NQO2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed