SCHEMBL28860910

SCHEMBL28860910

O=CCCOC(=O)CCC(=O)OCCC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
MAPT P10636 3/20 0.44
BLM P54132 1/20 0.44
DGKA P23743 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
DNM1 Q05193 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL29014489 0.90 DGKA (0.45) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL27605007 0.88 MGLL (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL5255945 0.86 DGKA (0.47) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL10311843 0.84 ADRA2A (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL28351395 0.84 MGAM (0.42) ADRA2AADRA1AMAPTBLMLMNA
SCHEMBL25579733 0.84 ADRA2A (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL28860837 0.83 LMNA (0.44) MAPTBLMDGKAALDH1A1TSHR
SCHEMBL8720753 0.82
SCHEMBL28851066 0.82 MAPT (0.31) ADRA2AADRA1AMAPTHIF1A
SCHEMBL30636886 0.81 HTR2C (0.46) ADRA2AADRA1AMAPTBLMDGKA

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-104955926-B For improving the lubricant compositions for including epoxide compound of fluoropolymer sealant compatibility 巴斯夫欧洲公司 2018-06-22 CN disclosed