SCHEMBL13005204

SCHEMBL13005204

CCN(C)c1ccc(/C=C/C2=C/C(=C/C=C/c3ccc(O)c(C(=O)O)c3)C=C(C)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
HNF4A P41235 1/20 0.41
PTGS2 P35354 1/20 0.38
LCK P06239 1/20 0.36
APP P05067 5/20 0.36
PIM1 P11309 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CSNK2A1 P68400 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL12866072 0.84 APP (0.40) APPMAOAMAOBMEN1KMT2A
SCHEMBL12976260 0.84 MAOA (0.34) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL12881122 0.83 MAOA (0.36) PTGS2APPMAOAMAOB
SCHEMBL12881137 0.81 PTPN1 (0.55) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL12866163 0.80 ALDH1A1 (0.40) PTPN1LCKMAOAMAOBMEN1
SCHEMBL13005259 0.78 PTPN1 (0.38) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL13005205 0.70 PTGS2 (0.32) PTGS2MAOAMAOB
SCHEMBL12881125 0.69 PTPN1 (0.75) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL12866317 0.67 XDH (0.49) PTPN1LCKAPPPIM1MEN1
SCHEMBL12866089 0.66 MAOA (0.33) MAOAMAOB

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

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