SCHEMBL28044349

SCHEMBL28044349

CC=CC(=O)OCCC1CC(CCOC(=O)C=CC)CC(CCOC(=O)C=CC)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
GSTP1 P09211 1/20 0.37
HCAR2 Q8TDS4 5/20 0.37
TSHR P16473 5/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21332194 0.84 SMN1; SMN2 (0.42) ATMGSTP1SMN1; SMN2
SCHEMBL28044348 0.80 GSTP1 (0.39) ATMGSTP1HCAR2ALDH1A1LMNA
SCHEMBL8673805 0.79 ATM (0.52) ATMGSTP1HCAR2TSHRHPGD
SCHEMBL21636771 0.79 ATM (0.52) ATMGSTP1HCAR2TSHRHPGD
SCHEMBL27716011 0.79 ATM (0.52) ATMGSTP1HCAR2TSHRHPGD
SCHEMBL27934787 0.78 ATM (0.37) ATMGSTP1HCAR2ALDH1A1TP53
SCHEMBL27008266 0.77 ATM (0.56) ATMGSTP1HCAR2TSHRHPGD
SCHEMBL9484325 0.77 ATM (0.56) ATMGSTP1HCAR2TSHRHPGD
SCHEMBL9484321 0.77 ATM (0.56) ATMGSTP1HCAR2TSHRHPGD
SCHEMBL10757321 0.75

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-104023976-B Duplexer and uses thereof THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO.,LTD. (JP) 2015-11-25 CN disclosed