SCHEMBL12866308

SCHEMBL12866308

CC[N+](CC)=C1C=CC(=CC2=C/C(=C/C=C/c3ccc(O)c(O)c3)C=C(C)O2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
IAPP P10997 4/20 0.35
APP P05067 9/20 0.34
XDH P47989 1/20 0.33
PTGS1 P23219 1/20 0.32
LCK P06239 1/20 0.32
ALOX5 P09917 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 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
SCHEMBL13005259 0.82 PTPN1 (0.38) APPLCK
SCHEMBL12866259 0.80 XDH (0.33) TTRDPP4APPXDHPTGS1
SCHEMBL12866317 0.78 XDH (0.49) TTRDPP4IAPPAPPXDH
SCHEMBL12866163 0.74 ALDH1A1 (0.40) TTRDPP4IAPPXDHLCK
SCHEMBL12881137 0.67 PTPN1 (0.55) APPLCKALOX5MAOBALDH1A1
SCHEMBL13005204 0.66 PTPN1 (0.44) APPLCKMAOBALDH1A1RECQL
SCHEMBL12976260 0.64 MAOA (0.34) MAOBALDH1A1RECQL
SCHEMBL12866263 0.63 XDH (0.47) TTRAPPXDHPTGS1ALOX5
SCHEMBL12866072 0.62 APP (0.40) APPPTGS1MAOBALDH1A1RECQL
SCHEMBL10018365 0.58 IGF1R (0.38) PTGS1ALOX5ALDH1A1

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

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