SCHEMBL12866259

SCHEMBL12866259

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.33
MAOB P27338 2/20 0.32
DNMT1 P26358 1/20 0.32
TOP2A P11388 2/20 0.31
TXNRD1 Q16881 2/20 0.31
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TTR P02766 1/20 0.30
DPP4 P27487 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
PTGES O14684 1/20 0.30
HDAC3 O15379 1/20 0.30
CA12 O43570 1/20 0.30
DYRK3 O43781 1/20 0.30
PLIN1 O60240 1/20 0.30
KDM1A O60341 1/20 0.30

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 0.85 PTPN1 (0.38) APPPTGS2
SCHEMBL12866263 0.80 XDH (0.47) XDHMAOBDNMT1TOP2ATXNRD1
SCHEMBL12866308 0.80 TTR (0.36) XDHMAOBTTRDPP4ALDH1A1
SCHEMBL12866317 0.67 XDH (0.49) XDHCYP2C9TSHRHSD17B10TTR
SCHEMBL12866163 0.64 ALDH1A1 (0.40) XDHMAOBTTRDPP4KDM4E
SCHEMBL12881137 0.63 PTPN1 (0.55) MAOBHSD17B10CA12ALDH1A1CA1
SCHEMBL13005204 0.63 PTPN1 (0.44) MAOBKDM4EMEN1ALDH1A1APP
SCHEMBL12866248 0.63 XDH (0.38) XDHMAOBDNMT1TOP2ATXNRD1
SCHEMBL12881122 0.61 MAOA (0.36) MAOBAPPMAOAPTGS1PTGS2
SCHEMBL12976260 0.60 MAOA (0.34) MAOBKDM4EMEN1ALDH1A1POLB

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 4 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-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