SCHEMBL28320971

SCHEMBL28320971

CCCCCOc1ccc(C=Cc2ccccc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.43
RELA Q04206 1/20 0.43
TRPA1 O75762 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CHRNA7 P36544 4/20 0.40
CHRNA10 Q9GZZ6 3/20 0.40
CHRNA9 Q9UGM1 3/20 0.40
LTA4H P09960 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TLR8 Q9NR97 2/20 0.38
EGFR P00533 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37

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
Propene SCHEMBL28139917 0.95 NFE2L2 (0.39) NFE2L2RELATRPA1L3MBTL1CHRNA7
SCHEMBL21165801 0.87 RELA (0.53) NFE2L2RELATRPA1CYP1A2CYP1A1
SCHEMBL27858101 0.82 NFE2L2 (0.64) NFE2L2RELATRPA1CHRNA7CHRNA10
SCHEMBL28274546 0.82 NFE2L2 (0.44) NFE2L2RELATRPA1CHRNA7CHRNA10
SCHEMBL6810745 0.81 NFE2L2 (0.62) NFE2L2RELATRPA1CHRNA7CHRNA10
SCHEMBL6810747 0.81 NFE2L2 (0.62) NFE2L2RELATRPA1CHRNA7CHRNA10
SCHEMBL12734624 0.80 NFE2L2 (0.36) NFE2L2L3MBTL1HDAC8MAPTALDH1A1
SCHEMBL12739527 0.80 NFE2L2 (0.36) NFE2L2L3MBTL1HDAC8MAPTALDH1A1
SCHEMBL12734656 0.80 NFE2L2 (0.36) NFE2L2L3MBTL1HDAC8MAPTALDH1A1
SCHEMBL12734646 0.80 NFE2L2 (0.36) NFE2L2L3MBTL1HDAC8MAPTALDH1A1

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
CN-105637410-B Liquid crystal display element 日产化学工业株式会社 2019-08-02 CN disclosed
CN-106662780-A Liquid crystal display element 日产化学工业株式会社 2017-05-10 CN disclosed