SCHEMBL2069592

SCHEMBL2069592

O=C(OCCCCOC(=O)c1ccccc1COC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.69
PPARG P37231 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 4/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.51
BCHE P06276 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.45

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
SCHEMBL5860477 0.87 PPARG (0.61) TDP1PPARGL3MBTL1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6639780 0.85 PPARG (0.59) TDP1PPARGL3MBTL1SLC6A2SLC6A3
SCHEMBL3290977 0.85 PPARG (0.59) TDP1PPARGL3MBTL1SLC6A2SLC6A3
SCHEMBL11985735 0.84 TDP1 (0.73) TDP1L3MBTL1SLC6A2SLC6A3KMT2A
SCHEMBL11011533 0.84 PPARG (0.58) TDP1PPARGL3MBTL1SLC6A2SLC6A3
SCHEMBL3290980 0.84 PPARG (0.58) TDP1PPARGL3MBTL1SLC6A2SLC6A3
SCHEMBL223441 0.83 TDP1 (1.00) TDP1SLC6A2SLC6A3KMT2ATSHR
SCHEMBL5085480 0.81 PPARG (0.71) TDP1PPARGL3MBTL1SLC6A2SLC6A3
SCHEMBL2069111 0.81 TDP1 (0.96) TDP1SLC6A2SLC6A3KMT2ATSHR
SCHEMBL223238 0.81 TDP1 (0.96) TDP1SLC6A2SLC6A3KMT2ATSHR

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-7862868-B2 Ink-jet recording material FERRANIA TECHNOLOGIES, S.P.A. (IT) 2011-01-04 US disclosed
US-20080138544-A1 Ink-Jet Recording Material FERRANIA TECHNOLOGIES, S.P.A. 2008-06-12 US disclosed