SCHEMBL12866282

SCHEMBL12866282

COCCN1/C(=C/c2ccc(O)c(O)c2)Oc2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 2/20 0.39
STK17B O94768 4/20 0.37
HSD17B3 P37058 1/20 0.37
AURKA O14965 2/20 0.34
GSK3B P49841 2/20 0.34
DAPK3 O43293 1/20 0.34
BLK P51451 1/20 0.34
CDK5 Q00535 1/20 0.34
TEK Q02763 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 0.34
STK17A Q9UEE5 1/20 0.34
DAPK2 Q9UIK4 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
EP300 Q09472 2/20 0.32
ERO1A Q96HE7 1/20 0.32
SRC P12931 1/20 0.32
PTGS2 P35354 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL13005253 0.88 CA1 (0.40) CXCL12STK17BHSD17B3PTGDR2PTGS2
SCHEMBL12866241 0.87 CXCL12 (0.43) CXCL12STK17BHSD17B3PTGDR2EP300
SCHEMBL12866278 0.77 PTGDR2 (0.42) CXCL12HSD17B3PTGDR2EP300ERO1A
SCHEMBL12894789 0.77 CXCL12 (0.40) CXCL12STK17BAURKAGSK3BDAPK3
SCHEMBL12866303 0.68 EP300 (0.44) STK17BAURKAGSK3BEP300PTGS2
SCHEMBL12866302 0.68 EP300 (0.37) EP300PTGS2MEN1KMT2ATDP1
SCHEMBL13005244 0.67 PTGDR2 (0.44) HSD17B3PTGDR2PTGS2MAPK1KDM4E
SCHEMBL12866224 0.66 PTGDR2 (0.40) CXCL12STK17BHSD17B3PTGDR2EP300
SCHEMBL12880700 0.66 CA1 (0.40) CXCL12STK17BPTGS2
SCHEMBL12976098 0.61 LRRK2 (0.41) CXCL12STK17BAURKAGSK3BDAPK3

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 5 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
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed