SCHEMBL29286972

SCHEMBL29286972

O=C(CCO)OCCO.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
TSHR P16473 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
DGKA P23743 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.34
APP P05067 2/20 0.34
MAPK1 P28482 1/20 0.33
DNM1 Q05193 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6844202 0.97
Ammonia Solution, Strong SCHEMBL15994013 0.94 MGLL (0.43) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL475320 0.88 ADRA2A (0.52) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL822152 0.83 MGLL (0.52) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL206255 0.83 DGKA (0.56) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL822230 0.82 MGAM (0.48) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL13414043 0.82 ADRA2A (0.43) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL28766326 0.82 DGKA (0.50) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL9391861 0.82 LMNA (0.43) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL28538532 0.82 MGLL (0.51) MGLLTSHRADRA2AADRA1AMAPT

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-109137592-A A kind of transparent paper base cigarette packaging material and preparation method thereof 华南理工大学 2019-01-04 CN disclosed