SCHEMBL20052627

SCHEMBL20052627

CC(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc(C(C)(C)C)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN5 P54829 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGES O14684 1/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 2/20 0.35
HDAC4 P56524 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL18232178 0.89 KDM4E (0.49) PPARGKDM4EATML3MBTL1ALDH1A1
SCHEMBL21658478 0.88 PTGES (0.41) PPARGKDM4EATML3MBTL1PTPN5
SCHEMBL25847350 0.88 KDM4E (0.47) PPARGKDM4EATML3MBTL1ALDH1A1
SCHEMBL23184829 0.86 KDM4E (0.50) PPARGKDM4EATML3MBTL1ALDH1A1
SCHEMBL9916244 0.86 KDM4E (0.53) PPARGKDM4EATML3MBTL1PTPN5
SCHEMBL9916261 0.86 KDM4E (0.53) PPARGKDM4EATML3MBTL1PTPN5
SCHEMBL21076168 0.86 SMN1; SMN2 (0.40) KDM4EATML3MBTL1PTPN5ALDH1A1
SCHEMBL25685930 0.85 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1NPSR1
SCHEMBL28063975 0.85 KDM4E (0.40) PPARGKDM4EATML3MBTL1ALDH1A1
SCHEMBL26180242 0.84 PPARG (0.44) PPARGKDM4EATML3MBTL1ALDH1A1

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-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 US disclosed