SCHEMBL28297350

SCHEMBL28297350

C=CCOC(=O)c1ccccc1.CCCCCOC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 5/20 0.59
TSHR P16473 5/20 0.56
CYP3A4 P08684 3/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CNR2 P34972 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
ESR1 P03372 1/20 0.51
CYP2D6 P10635 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL28864110 0.96 LMNA (0.61) TDP1LMNATSHRCYP3A4MAPK1
SCHEMBL6256903 0.93 ALDH1A1 (0.63) LMNATSHRCYP3A4MAPK1TP53
Benzene SCHEMBL28221398 0.88 TDP1 (0.81) TDP1LMNATSHRCYP3A4MAPK1
SCHEMBL132946 0.88 TDP1 (0.81) TDP1LMNATSHRCYP3A4MAPK1
Acetic Acid SCHEMBL27756483 0.88 TSHR (0.57) TDP1LMNATSHRCYP3A4MAPK1
Benzene SCHEMBL28119333 0.87 ALDH1A1 (0.75) TDP1LMNATSHRCYP3A4MAPK1
SCHEMBL513788 0.87 TSHR (0.77) TDP1LMNATSHRCYP3A4MAPK1
Alkyl (C12-15) Benzoate SCHEMBL26598091 0.86 TDP1 (0.73) TDP1LMNATSHRCYP3A4MAPK1
SCHEMBL1037965 0.86 TDP1 (0.79) TDP1LMNATSHRCYP3A4MAPK1
Nonyl Benzoate SCHEMBL634555 0.86 TDP1 (0.79) TDP1LMNATSHRCYP3A4MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109690363-A Hard coat laminate, molded body, and method for producing same 株式会社大赛璐 2019-04-26 CN disclosed