SCHEMBL13005259

SCHEMBL13005259

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
HNF4A P41235 1/20 0.36
PTGS2 P35354 1/20 0.35
LCK P06239 1/20 0.34
APP P05067 5/20 0.33
PIM1 P11309 1/20 0.32
DHODH Q02127 1/20 0.32
CSNK2A1 P68400 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
SCHEMBL12866259 0.85 XDH (0.33) PTGS2APP
SCHEMBL12866308 0.82 TTR (0.36) LCKAPP
SCHEMBL12881137 0.80 PTPN1 (0.55) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL13005204 0.78 PTPN1 (0.44) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL12866317 0.69 XDH (0.49) PTPN1LCKAPPPIM1
SCHEMBL12866163 0.66 ALDH1A1 (0.40) PTPN1LCK
SCHEMBL12880701 0.62 PTPN1 (0.50) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL12866263 0.61 XDH (0.47) PTGS2APPCSNK2A1
SCHEMBL12976260 0.61 MAOA (0.34)
SCHEMBL12881122 0.61 MAOA (0.36) PTGS2APP

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