SCHEMBL5504039

SCHEMBL5504039

CCCC1(CCC)c2ccccc2-c2cccc(CBr)c21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
PGR P06401 2/20 0.38
APEX1 P27695 1/20 0.37
PDK2 Q15119 2/20 0.34
PDE7A Q13946 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
SCHEMBL28513312 0.88 MMP2 (0.37) CYP2D6APEX1PDK2
SCHEMBL9781136 0.84 PGR (0.44) CYP2D6PGRAPEX1PDK2PDE7A
SCHEMBL27614932 0.80 PDE7A (0.41) CYP2D6PGRAPEX1PDK2PDE7A
SCHEMBL28912780 0.79 APEX1 (0.50) CYP2D6PGRAPEX1PDK2
SCHEMBL29370881 0.78 APEX1 (0.53) CYP2D6PGRAPEX1PDK2
SCHEMBL1617518 0.78 APEX1 (0.53) CYP2D6PGRAPEX1PDK2
SCHEMBL9867937 0.78 APEX1 (0.53) CYP2D6PGRAPEX1PDK2
SCHEMBL27584730 0.78 MMP2 (0.34) PGRAPEX1PDK2
SCHEMBL30606694 0.77 CYP2D6 (0.41) CYP2D6PGRAPEX1PDK2
SCHEMBL28379079 0.77 CYP2D6 (0.36) CYP2D6PDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101390016-B Photopolymerizable compositions AGFA GRAPHICS NV 2011-10-19 CN disclosed
CN-101390016-A Photopolymerizable compositions AGFA GRAPHICS NV (BE) 2009-03-18 CN disclosed
EP-1810082-A1 PHOTOPOLYMERIZABLE COMPOSITION Agfa Graphics N.V. (BE) 2007-07-25 EP disclosed
EP-1810081-A2 PHOTOPOLYMERIZABLE COMPOSITION. Agfa Graphics N.V. (BE) 2007-07-25 EP disclosed
WO-2006048445-A1 PHOTOPOLYMERIZABLE COMPOSITION AGFA GRAPHICS NV (BE) 2006-05-11 WO disclosed
WO-2006048443-A2 PHOTOPOLYMERIZABLE COMPOSITION AGFA GRAPHICS NV (BE) 2006-05-11 WO disclosed