SCHEMBL14280398

SCHEMBL14280398

CCCCn1c2ccccc2c(=O)c2cc(OCC)c(OCC)cc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.51
RORA P35398 2/20 0.51
RORC P51449 2/20 0.51
RORB Q92753 2/20 0.51
ALDH1A1 P00352 2/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
HRH1 P35367 1/20 0.49
PSEN1 P49768 10/20 0.48
PSEN2 P49810 10/20 0.48
APH1B Q8WW43 10/20 0.48
NCSTN Q92542 10/20 0.48
APH1A Q96BI3 10/20 0.48
PSENEN Q9NZ42 10/20 0.48
CNR2 P34972 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14315155 0.91 KDM4E (0.42) PGRRORARORCRORBALDH1A1
SCHEMBL14280385 0.88 PGR (0.52) PGRRORARORCRORBALDH1A1
SCHEMBL14493936 0.86 RORA (0.62) PGRRORARORCRORBALDH1A1
SCHEMBL29654225 0.86 RORA (0.62) PGRRORARORCRORBALDH1A1
SCHEMBL14280397 0.85 PSEN1 (0.52) PGRRORARORCRORBALDH1A1
SCHEMBL10730998 0.83 PGR (0.70) PGRRORARORCRORBALDH1A1
SCHEMBL14280386 0.81 PGR (0.56) PGRRORARORCRORBALDH1A1
SCHEMBL14280402 0.81 KDM4E (0.37) PGRRORARORCRORBALDH1A1
SCHEMBL14493937 0.81 SLC6A4 (0.63) PGRRORARORCRORBALDH1A1
SCHEMBL14493934 0.81 SLC6A4 (0.63) PGRRORARORCRORBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed