SCHEMBL28286830

SCHEMBL28286830

O=C(OCCOC(=O)c1ccccc1)c1ccccc1.[NaH].[NaH]

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.79
LMNA P02545 2/20 0.73
MAPK1 P28482 1/20 0.63
HIF1A Q16665 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KMT2A Q03164 1/20 0.63
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
F2 P00734 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL137486 0.98 TDP1 (0.83) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL13292516 0.95 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL547137 0.95 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL16217656 0.95 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL8622525 0.93 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL11578922 0.93 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL9928862 0.93 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL7587624 0.93 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512282 0.91 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
Cyclopropane SCHEMBL5387563 0.91 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2

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-109553759-A A kind of modified PET polyester and preparation method thereof 中国石化仪征化纤有限责任公司 2019-04-02 CN disclosed