SCHEMBL4454842

SCHEMBL4454842

CCCCC(CC)COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 3/20 0.39
ATM Q13315 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MC4R P32245 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
SCHEMBL18929537 0.86 EPHX2 (0.37) ALDH1A1TDP1L3MBTL1
SCHEMBL76644 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL29496845 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL7072419 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL6460885 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL28876135 0.82 ALDH1A1 (0.43) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL4454844 0.81 GAA (0.33) ALDH1A1MAPK1ATMTSHRGAA
SCHEMBL19834895 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL12922594 0.80 ALDH1A1 (0.45) ALDH1A1MAPK1CYP3A4ATMTSHR
SCHEMBL31631277 0.76 ALDH1A1 (0.36) ALDH1A1MAPK1CYP3A4LMNACA2

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