SCHEMBL4603457

SCHEMBL4603457

CCC(C)CCOC(=O)c1cc(C(=O)OCCC(C)CC)cc(S(=O)(=O)[O-])c1.CCC(C)CCOC(=O)c1cc(C(=O)OCCC(C)CC)cc(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.38
ESR1 P03372 8/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
SERPINE1 P05121 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4603505 0.97 PKM (0.41) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4605876 0.87 PKM (0.54) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4603338 0.86 MAPT (0.52) ALDH1A1GAAKMT2AMAPTHSD17B10
SCHEMBL4603586 0.85 PKM (0.54) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4604593 0.85 PKM (0.54) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4605503 0.83 MAPT (0.52) ALDH1A1GAAKMT2AMAPTHSD17B10
SCHEMBL4606564 0.83 MAPT (0.52) ALDH1A1GAAKMT2AMAPTHSD17B10
SCHEMBL4605248 0.83 LMNA (0.49) KDM4EALDH1A1ESR1SERPINE1AKR1C4
SCHEMBL4605236 0.82 PKM (0.45) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4638394 0.82 GAA (0.39) KDM4EALDH1A1GAAMAPTMAPK1

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