SCHEMBL28026700

SCHEMBL28026700

CCCOc1ccccc1C(=O)OC(=O)CCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HIF1A Q16665 1/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 2/20 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
SCHEMBL28026639 0.93 LMNA (0.55) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL28213609 0.91 ADRB2 (0.52) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL1009321 0.86 ADRB2 (0.53) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL28882640 0.86 ADRB2 (0.53) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL4644404 0.84 CTSD (0.50) KMT2ALMNAMAPTALDH1A1NPSR1
SCHEMBL3977783 0.84 KMT2A (0.53) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL7257515 0.84 ALDH1A1 (0.55) KMT2AMEN1LMNACYP3A4ALDH1A1
SCHEMBL6467178 0.82 ADRB2 (0.56) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL29196402 0.82 LMNA (0.59) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL2949387 0.81 ALDH1A1 (0.73) KMT2AMEN1HIF1AADRB2ADRB1

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 2 patents. 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
CN-104829757-A Salicylate-compound-containing solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed