SCHEMBL4606537

SCHEMBL4606537

COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[O-])c1.COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
HSD17B10 Q99714 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 8/20 0.54
HPGD P15428 5/20 0.54
MAPT P10636 3/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
GAA P10253 2/20 0.54
ATM Q13315 2/20 0.54
GLA P06280 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
VCAM1 P19320 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46

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
Potassium Ion SCHEMBL1863797 0.97 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1868221 0.97 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL4605912 0.97 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL4604662 0.97 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3341066 0.84 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3339517 0.83 KDM4E (0.58) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
Cesium SCHEMBL4605888 0.82 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1863796 0.82 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1868219 0.82 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL4602708 0.82 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD

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
US-9139710-B2 Aliphatic polyester resin compositions, molded articles of aliphatic polyester resin and method of producing same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2015-09-22 US disclosed
EP-1707598-B1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING TAKEMOTO OIL & FAT CO LTD (JP) 2008-07-09 EP disclosed
US-20070270535-A1 Aliphatic Polyester Resin Compositions, Molded Articles of Aliphatic Polyester Resin and Method of Producing Same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2007-11-22 US disclosed
EP-1707598-A1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING Takemoto Yushi Kabushiki Kaisha (JP) 2006-10-04 EP disclosed