SCHEMBL12866277

SCHEMBL12866277

CCCCCCCCN1/C(=C/C2=C(Cl)/C(=C/c3ccc(O)c(O)c3)CCC2)C(C)(C)c2cc(OC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
MIF P14174 1/20 0.37
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.32
JUN P05412 1/20 0.32
MME P08473 1/20 0.32
NFKB1 P19838 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD2 Q9HC29 1/20 0.32
HDAC2 Q92769 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
APP P05067 5/20 0.32
LCK P06239 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 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
SCHEMBL12866249 0.91 MEN1 (0.36) EGFRMIFCYP3A4MAPTSCN9A
SCHEMBL12881946 0.78 EGFR (0.33) EGFRAPPMGAMGAASI
SCHEMBL15235539 0.74 EGFR (0.45) EGFRMIFCYP3A4MAPTMEN1
SCHEMBL10643897 0.66 SCN9A (0.43) SCN9AMEN1KMT2AHDAC2
SCHEMBL19746778 0.66 SCN9A (0.43) SCN9AMEN1KMT2AHDAC2
SCHEMBL12713670 0.64 FOLH1 (0.48) EGFRAPP
SCHEMBL15235471 0.64 GAA (0.38) EGFRMIFMEN1JUNMME
SCHEMBL14489570 0.64 PRMT1 (0.44) EGFRSCN9AHDAC2
SCHEMBL15706694 0.62 APP (0.42) EGFRMAPTMEN1KMT2AAPP
SCHEMBL16870995 0.62 APP (0.45) 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 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