SCHEMBL12866239

SCHEMBL12866239

CCCN(Cc1cc(/C=C2\Oc3ccccc3N2CCc2ccccc2)ccc1O)OC=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CARM1 Q86X55 1/20 0.32
GSK3B P49841 1/20 0.32
ACHE P22303 2/20 0.31
P2RX4 Q99571 2/20 0.31
P2RX1 P51575 1/20 0.31
STK17B O94768 2/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SMPD1 P17405 1/20 0.31
EGFR P00533 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 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
SCHEMBL12866303 0.78 EP300 (0.44) SIGMAR1S1PR1S1PR3CARM1GSK3B
SCHEMBL13005251 0.76 SIGMAR1 (0.39) SIGMAR1S1PR1S1PR3CARM1GSK3B
SCHEMBL12866302 0.70 EP300 (0.37) S1PR1S1PR3CARM1MAPTEGFR
SCHEMBL28064646 0.61 SIGMAR1 (0.63) SIGMAR1GSK3BP2RX4P2RX1MAPT
SCHEMBL8406780 0.57 KDM4E (0.48) MAPTEGFRMEN1KMT2A
SCHEMBL19091685 0.56 SIGMAR1 (0.47) SIGMAR1GSK3BP2RX4MAPTSMPD1
SCHEMBL12880707 0.56 MEN1 (0.41) GSK3BSTK17BMAPTEGFRMEN1
SCHEMBL7696530 0.55 SIGMAR1 (0.50) SIGMAR1P2RX4P2RX1MAPTSMPD1
SCHEMBL29759083 0.55 SIGMAR1 (0.50) SIGMAR1P2RX4P2RX1MAPTSMPD1
SCHEMBL9951142 0.55 KDM4E (0.47) P2RX4MAPT

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-8338700-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-25 US disclosed
US-8338701-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