SCHEMBL19206905

SCHEMBL19206905

O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1.O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SERPINE1 P05121 1/20 0.49

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
SCHEMBL21733187 1.00 TDP1 (0.75) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL14677534 0.98 TDP1 (0.78) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL22832400 0.96 TDP1 (0.81) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL115000 0.96 TDP1 (0.81) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL1674740 0.92 TDP1 (0.88) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512282 0.92 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512622 0.92 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL205788 0.92 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512375 0.92 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512201 0.92 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266672-B2 Plasticizer composition comprising polymeric dicarboxylic esters BASF SE (DE) 2019-04-23 US disclosed
US-20170233548-A1 PLASTICIZER COMPOSITION COMPRISING POLYMERIC DICARBOXYLIC ESTERS BASF SE (DE) 2017-08-17 US disclosed