SCHEMBL28633705

SCHEMBL28633705

O=C(CCCOC(=O)C(=O)c1ccccc1)OCCOC(=O)C(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
LMNA P02545 5/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4738628 0.89 LMNA (0.49) TDP1LMNACES2CES1L3MBTL1
SCHEMBL220962 0.85 LMNA (0.45) TDP1LMNACES2CES1L3MBTL1
SCHEMBL9212855 0.77 LMNA (0.47) TDP1LMNACES2CES1NPC1
SCHEMBL14547812 0.75 TDP1 (0.59) TDP1LMNACES2CES1L3MBTL1
SCHEMBL4738627 0.75 CES2 (0.56) TDP1LMNACES2CES1L3MBTL1
SCHEMBL12994158 0.75 TDP1 (0.50) TDP1LMNACES2CES1L3MBTL1
SCHEMBL29413748 0.74 PTGS1 (0.40) LMNACES2CES1CHRM2CHRM4
SCHEMBL16349103 0.74 TDP1 (0.62) TDP1LMNACES2CES1L3MBTL1
SCHEMBL13875402 0.74 TDP1 (0.62) TDP1LMNACES2CES1L3MBTL1
SCHEMBL28469109 0.73 LMNA (0.65) TDP1LMNANPC1MAPK1ALDH1A1

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-109735237-B Glue composition, quantum dot glue, quantum dot composite material and quantum dot device 纳晶科技股份有限公司 2021-10-08 CN disclosed