SCHEMBL9968248

SCHEMBL9968248

CC(C)(C)c1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3cnc4c(c3)c3cc(C(C)(C)C)ccc3n4-c3ccccc3)cnc1n2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DNMT1 P26358 3/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
TEAD3 Q99594 1/20 0.32
PPARG P37231 3/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH1A3 P47895 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 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
SCHEMBL9968252 0.82 PPARG (0.32) ALDH1A1MAPK1MAPTNPSR1PPARG
SCHEMBL9968049 0.81 FEN1 (0.35) ALDH1A1MAPK1ALDH1A2ALDH1A3KDM4E
SCHEMBL29353978 0.78 PPARG (0.40) ALDH1A1MAPK1MAPTNPSR1TEAD1
SCHEMBL1200222 0.78 PPARG (0.40) ALDH1A1MAPK1MAPTNPSR1TEAD1
SCHEMBL29353366 0.78 PPARG (0.40) ALDH1A1MAPK1MAPTNPSR1TEAD1
SCHEMBL17463353 0.78 L3MBTL1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1ATM
SCHEMBL22907520 0.77 NOTUM (0.36) PGRRORARORCRORBALDH1A1
SCHEMBL17463157 0.77 KDM4E (0.49) ALDH1A1MAPK1MAPTNPSR1PPARG
SCHEMBL31621190 0.77 L3MBTL1 (0.52) PGRRORARORCRORBALDH1A1
SCHEMBL13146817 0.77 L3MBTL1 (0.52) 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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed