SCHEMBL9968261

SCHEMBL9968261

CC(C)Cc1cc2c3cc(C(c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cc(CC(C)C)ncc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.35
PPARA Q07869 3/20 0.35
HTR6 P50406 1/20 0.35
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
PTGES O14684 1/20 0.31
DNMT1 P26358 3/20 0.31
PARP1 P09874 1/20 0.30
ACSS2 Q9NR19 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
SCHEMBL9968145 0.81 HTR6 (0.36) PPARGPPARAHTR6PDE10ADRD1
SCHEMBL25665974 0.78 KDM4E (0.50) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL9968230 0.76 KDM4E (0.39) PPARGPDE10AKDM4EATML3MBTL1
SCHEMBL9968147 0.75 KDM4E (0.34) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL14000302 0.74 L3MBTL1 (0.60) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL5436170 0.74 PPARG (0.43) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL29756569 0.74 PPARG (0.43) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL25665970 0.74 L3MBTL1 (0.60) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL13232864 0.72 KDM4E (0.55) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL9968272 0.71 ALDH1A1 (0.36) PPARGPPARAKDM4EATML3MBTL1

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