SCHEMBL28213609

SCHEMBL28213609

CCCOc1ccccc1C(=O)OC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
LMNA P02545 5/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PTK2B Q14289 1/20 0.46

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
SCHEMBL28026700 0.91 KMT2A (0.51) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL28882640 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL1009321 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL3977783 0.87 KMT2A (0.53) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL8587610 0.87 HCRTR1 (0.57) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL29196402 0.85 LMNA (0.59) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL6467178 0.85 ADRB2 (0.56) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL2949387 0.83 ALDH1A1 (0.73) ADRB2ADRB1ADRB3LMNAKMT2A
SCHEMBL28811038 0.83 LMNA (0.62) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL536427 0.83 MAPT (0.59) ADRB2ADRB1ADRB3LMNAKMT2A

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-104829757-B A kind of ingredient of solid catalyst of olefin polymerization acid esters compound containing bigcatkin willow and its preparation method and application 中国科学院化学研究所 2018-04-27 CN disclosed