SCHEMBL22907641

SCHEMBL22907641

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.34
PPARA Q07869 6/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
CYP2D6 P10635 1/20 0.32
DNMT1 P26358 3/20 0.31
APP P05067 1/20 0.31
PTGES O14684 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL22907646 0.97 PPARG (0.37) PPARGPPARAPGRRORARORC
SCHEMBL22907642 0.95 APP (0.33) PPARGPPARAPGRRORARORC
SCHEMBL22907643 0.94 PTGES (0.35) PPARGPPARAPGRRORARORC
SCHEMBL4400215 0.89 PPARG (0.38) PPARGPPARAPGRRORARORC
SCHEMBL22907467 0.88 RORC (0.34) PPARGPPARARORC
SCHEMBL22907468 0.86 APP (0.37) PGRRORARORCRORBAPP
SCHEMBL4402869 0.85 PPARG (0.36) PPARGPPARAPGRRORARORC
SCHEMBL12559444 0.85 KDM4E (0.38) PPARGPPARAPGRRORARORC
SCHEMBL4400843 0.85 KDM4E (0.38) PPARGPPARAPGRRORARORC
SCHEMBL4400205 0.85 PGR (0.39) PPARGPPARAPGRRORARORC

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