SCHEMBL3207717

SCHEMBL3207717

O=C(O)CCCOC(=O)c1ccccc1C(=O)OCCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
TDP1 Q9NUW8 5/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
CYP3A4 P08684 4/20 0.62
MAPK1 P28482 4/20 0.62
TP53 P04637 2/20 0.62
ALDH1A1 P00352 9/20 0.61
LMNA P02545 1/20 0.61
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC3 O15379 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL15646940 0.95 TSHR (0.59) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5162430 0.94 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL18675952 0.92 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5162420 0.90 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL18668792 0.88 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL5442923 0.88 TSHR (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL32680573 0.88 ALDH1A1 (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL32680574 0.88 ALDH1A1 (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL18668780 0.88 HPGD (0.52) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL28119697 0.88 TSHR (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403948-B1 Electrolyte compositions DAINICHISEIKA COLOR CHEM (JP) 2010-07-28 EP disclosed
US-20100036060-A1 ELECTROLYTE COMPOSITIONS DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-02-11 US disclosed
EP-1403948-A2 Electrolyte compositions DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2004-03-31 EP disclosed
US-20040023121-A1 Ion-conducting polymer and oligomer, formed by reacting a polymer or monomer having epoxy groups with CO2 to form cyclic carbonate groups DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2004-02-05 US disclosed