SCHEMBL22907646

SCHEMBL22907646

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARA Q07869 3/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KIF11 P52732 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
SCHEMBL22907641 0.97 PPARG (0.34) PPARGPPARAPGRRORARORC
SCHEMBL22907642 0.92 APP (0.33) PPARGPPARAPGRRORARORC
SCHEMBL22907467 0.92 RORC (0.34) PPARGPPARARORC
SCHEMBL22907643 0.91 PTGES (0.35) PPARGPPARAPGRRORARORC
SCHEMBL16230989 0.89 KDM4E (0.46) PPARGKDM4EATML3MBTL1PPARA
SCHEMBL22907670 0.89 KDM4E (0.46) KDM4EATML3MBTL1RORCCYP2D6
SCHEMBL17463224 0.88 KDM4E (0.42) PPARGKDM4EATML3MBTL1PPARA
SCHEMBL25672913 0.87 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL22907471 0.87 KDM4E (0.38) KDM4EATML3MBTL1PGRRORA
SCHEMBL25673106 0.86 KDM4E (0.45) KDM4EATML3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210020854-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-21 US disclosed