SCHEMBL13005205

SCHEMBL13005205

[C-]#[N+]/C(=C1/C=C(C)OC(/C=C/c2ccc(O)c(C(=O)ON(C)C)c2)=C1)c1ccc(N(C)CC)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL12866089 0.86 MAOA (0.33) MAOAMAOB
SCHEMBL12881901 0.79 MAOA (0.31) MAOAMAOB
SCHEMBL13005204 0.70 PTPN1 (0.44) PTGS2MAOAMAOB
SCHEMBL17883206 0.65 MEN1 (0.34) MAOAMAOB
SCHEMBL12081750 0.64 CTDSP1 (0.38) MAOB
SCHEMBL12866162 0.63 MEN1 (0.36) MAOAMAOB
SCHEMBL12881122 0.62 MAOA (0.36) PTGS2MAOAMAOB
SCHEMBL440302 0.61 KDM4E (0.37)
SCHEMBL12976260 0.61 MAOA (0.34) MAOAMAOB
SCHEMBL13139573 0.61 MEN1 (0.41)

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