SCHEMBL14280397

SCHEMBL14280397

CCCCn1c2ccccc2c(=O)c2cc(OCC)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.52
PSEN2 P49810 11/20 0.52
APH1B Q8WW43 11/20 0.52
NCSTN Q92542 11/20 0.52
APH1A Q96BI3 11/20 0.52
PSENEN Q9NZ42 11/20 0.52
PGR P06401 4/20 0.51
RORA P35398 4/20 0.51
RORC P51449 4/20 0.51
RORB Q92753 4/20 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
NPC1 O15118 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
SCHEMBL29717634 0.88 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12611201 0.88 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30213498 0.88 KDM4E (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8086565 0.85 L3MBTL1 (0.56) ALDH1A1NPC1
SCHEMBL14315154 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14280398 0.85 PGR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29654225 0.83 RORA (0.62) PGRRORARORCRORBALDH1A1
SCHEMBL14493936 0.83 RORA (0.62) PGRRORARORCRORBALDH1A1
SCHEMBL10730998 0.83 PGR (0.70) PGRRORARORCRORBALDH1A1
SCHEMBL8085590 0.81 PGR (0.71) 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