SCHEMBL28095256

SCHEMBL28095256

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC.O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
TSHR P16473 6/20 0.68
LMNA P02545 4/20 0.68
MAPK1 P28482 3/20 0.65
CYP3A4 P08684 3/20 0.65
TP53 P04637 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 1/20 0.56
NAAA Q02083 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45

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
SCHEMBL14628672 0.99 ALDH1A1 (0.69) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL11131188 0.99 ALDH1A1 (0.69) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL19667986 0.97 TSHR (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL31020921 0.96 TSHR (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL271491 0.96 TSHR (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
Dibutyl Phthalate SCHEMBL28523512 0.96 TSHR (0.68) ALDH1A1TSHRLMNAMAPK1CYP3A4
Undecane SCHEMBL27989970 0.91 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMAPK1CYP3A4
Tridecane SCHEMBL27989979 0.91 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMAPK1CYP3A4
Dodecane SCHEMBL27989977 0.91 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28302240 0.90 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106574145-B Permeable self-sealing gas barrier composition 3M创新有限公司 2018-12-11 CN disclosed
CN-107109152-A Air and water resistance gear product 3M创新有限公司 2017-08-29 CN disclosed
CN-106574145-A Self sealing permeable air barrier compositions 3M创新有限公司 2017-04-19 CN disclosed
CN-106030006-A Easy to apply air and water barrier articles 3M创新有限公司 2016-10-12 CN disclosed