SCHEMBL13005245

SCHEMBL13005245

Cc1ccc2c(c1)C(C)(C)/C(=C\C1=C(Cl)/C(=C/c3ccc(O)c(C(=O)O)c3)CCC1)N2CCOCCO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
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
SCHEMBL12866275 0.91 EGFR (0.33) APPKDM4EMEN1MAPTHTT
SCHEMBL12866230 0.88 APP (0.33) APPKDM4EMEN1MAPTHTT
SCHEMBL12881946 0.84 EGFR (0.33) APPGAA
SCHEMBL13005252 0.79 APP (0.33) APPKDM4EMEN1MAPTKMT2A
SCHEMBL13005244 0.73 PTGDR2 (0.44) KDM4E
SCHEMBL12866277 0.69 EGFR (0.40) APPMEN1MAPTKMT2AGAA
SCHEMBL12866249 0.67 MEN1 (0.36) KDM4EMEN1MAPTHTTKMT2A
SCHEMBL12880691 0.60 CA1 (0.40) APPKDM4EGAA
SCHEMBL18823460 0.57 APP (0.45) APPKDM4EMEN1MAPTHTT
SCHEMBL15235449 0.57 KAT8 (0.37) APP

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