SCHEMBL12866224

SCHEMBL12866224

COCCN1/C(=C/c2ccc(O)c(OC=O)c2)C(C)(C)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
HSD17B3 P37058 1/20 0.37
CXCL12 P48061 4/20 0.37
STK17B O94768 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
AR P10275 1/20 0.33
EP300 Q09472 1/20 0.33
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL12866278 0.87 PTGDR2 (0.42) PTGDR2HSD17B3CXCL12GAALMNA
SCHEMBL12866241 0.80 CXCL12 (0.43) PTGDR2HSD17B3CXCL12STK17BGAA
SCHEMBL12881948 0.76 PTGDR2 (0.41) PTGDR2LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL12866227 0.73 ALDH1A1 (0.35) PTGDR2LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL12866249 0.71 MEN1 (0.36) CXCL12GAAALDH1A1KDM4EMEN1
SCHEMBL4975848 0.68 PTGDR2 (0.47) PTGDR2LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL12881946 0.67 EGFR (0.33) CXCL12GAA
SCHEMBL12866282 0.66 CXCL12 (0.39) PTGDR2HSD17B3CXCL12STK17BEP300
SCHEMBL12881148 0.66 LMNA (0.37) CXCL12GAALMNAALDH1A1SMN1; SMN2
SCHEMBL12866281 0.64 LMNA (0.39) PTGDR2LMNAALDH1A1SMN1; SMN2KDM4E

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