SCHEMBL4604514

SCHEMBL4604514

CC(C)CCOC(=O)c1ccc(C(=O)OCCC(C)C)c(S(=O)(=O)[O-])c1.CC(C)CCOC(=O)c1ccc(C(=O)OCCC(C)C)c(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
PKM P14618 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4604360 0.97 MAPK1 (0.47) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4605239 0.97 MAPK1 (0.47) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4605100 0.93 MAPK1 (0.40) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4604596 0.90 MAPK1 (0.40) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4604012 0.90 MAPK1 (0.40) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4604896 0.89 ALDH1A1 (0.41) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4605928 0.87 ALDH1A1 (0.49) MAPK1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL4605665 0.86 ALDH1A1 (0.41) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4603927 0.86 MAPK1 (0.48) MAPK1PKMHSD17B10ALDH1A1GAA
SCHEMBL4605147 0.86 MAPK1 (0.48) MAPK1PKMHSD17B10ALDH1A1GAA

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