SCHEMBL719504

SCHEMBL719504

CC(c1cccc2ccccc12)N1C(=O)C=CC1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
NPBWR1 P48145 1/20 0.41
PDE2A O00408 2/20 0.39
XIAP P98170 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6923510 0.81 POLB (0.49) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6923507 0.81 POLB (0.49) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13878064 0.79 HSD11B1 (0.41) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23417534 0.79 HSD11B1 (0.41) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23417537 0.79 HSD11B1 (0.41) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28988279 0.78 MGLL (0.43) CYP1A2FAAHMGLL
SCHEMBL6921473 0.76 ANPEP (0.45) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6924631 0.76 ANPEP (0.45) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6924635 0.76 ANPEP (0.45) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25276584 0.73 HSD11B1 (0.57) HSD11B1ALDH1A1CYP1A2CYP2C9CYP2C19

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-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed