SCHEMBL4446169

SCHEMBL4446169

CCCCC1CC(CCC)O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
EPHX1 P07099 1/20 0.43
CYP1A2 P05177 3/20 0.37
GRM2 Q14416 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD1 P21728 1/20 0.32
GLB1 P16278 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
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
SCHEMBL11741674 0.81 EPHX1 (0.50) ALDH1A1EPHX1CYP1A2GRM2SMN1; SMN2
SCHEMBL6479195 0.78 EPHX1 (0.59) ALDH1A1EPHX1CYP1A2EBPSIGMAR1
SCHEMBL22868042 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17137851 0.76
SCHEMBL29997483 0.75 EPHX1 (0.55) ALDH1A1EPHX1CYP1A2TDP1
SCHEMBL136647 0.75 ALDH1A1 (0.54) ALDH1A1EPHX1CYP1A2DRD1MEN1
SCHEMBL27593777 0.75 ALDH1A1 (0.39) ALDH1A1EPHX1CYP1A2MEN1HTT
SCHEMBL31439446 0.75 EPHX1 (0.37) ALDH1A1EPHX1CYP1A2SMN1; SMN2
SCHEMBL4464256 0.74 EPHX1 (0.60) ALDH1A1EPHX1CYP1A2GRM2SMN1; SMN2
SCHEMBL7155873 0.74 EPHX1 (0.60) ALDH1A1EPHX1CYP1A2GRM2SMN1; SMN2

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-7507476-B2 Multilayered pellet comprising ethylene-vinyl alcohol copolymer resin composition KURARAY CO., LTD. (JP) 2009-03-24 US disclosed
US-20070299194-A1 Multilayered Pellet Comprising Ethylene-Vinyl Alcohol Copolymer Resin Compositions KURARAY CO. LTD. (JP) 2007-12-27 US disclosed