SCHEMBL4454844

SCHEMBL4454844

CCCCC(CC)CC(Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)cc1C(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
TSHR P16473 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
SCHEMBL208254 0.85 MMP2 (0.33) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL4454842 0.81 ALDH1A1 (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28885881 0.78 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL208253 0.75 PRKCZ (0.32) ALDH1A1MAPK1
SCHEMBL5026736 0.74 ALDH1A1 (0.31) ALDH1A1MAPK1
SCHEMBL224451 0.74 PPARG (0.35) MMP2
SCHEMBL18929537 0.72 EPHX2 (0.37) L3MBTL1ALDH1A1
SCHEMBL2941749 0.72 PTGES (0.33) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL3016141 0.72 PPARA (0.33) MMP2
SCHEMBL28876134 0.71 MMP2 (0.37) ALDH1A1MAPK1MMP2MMP3TSHR

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-8236208-B2 Optical cellulose ester film and manufacturing method thereof, and polarizing plate and liquid crystal display device KONICA MINOLTA OPTO, INC. (JP) 2012-08-07 US disclosed
US-20090081388-A1 Optical Cellulose Ester Film and Manufacturing Method Thereof, and Polarizing Plate and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2009-03-26 US disclosed