SCHEMBL27614932

SCHEMBL27614932

CCCC1(CCC)c2ccccc2-c2cccc(Br)c21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.41
PGR P06401 3/20 0.40
APEX1 P27695 1/20 0.39
PDK2 Q15119 3/20 0.35
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GRM2 Q14416 1/20 0.31
S100A4 P26447 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
SCHEMBL27735142 0.90 APEX1 (0.37) PDE7APGRAPEX1PDK2CYP2D6
SCHEMBL28205809 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL27942749 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL27630363 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL27517960 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL27923635 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL3202110 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL31531016 0.87 MMP2 (0.38) PDE7AAPEX1PDK2GRM2
SCHEMBL9781136 0.87 PGR (0.44) PDE7APGRAPEX1PDK2CYP2D6
SCHEMBL1794338 0.86 MMP2 (0.38) PDE7AAPEX1PDK2GRM2

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
CN-107311889-A Compound and its manufacture method 东京应化工业株式会社 2017-11-03 CN disclosed
CN-107315318-A Photosensitive composite 东京应化工业株式会社 2017-11-03 CN disclosed
CN-104684888-A Fluorene compound, photopolymerization initiator containing the fluorene compound, and photosensitive composition containing the photopolymerization initiator DAITO CHEMIX CORP 2015-06-03 CN disclosed
CN-1665904-A Luminescent compositions UNIV HULL (GB) 2005-09-07 CN disclosed