SCHEMBL4638394

SCHEMBL4638394

CCC(C)CCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCC(C)CC.CCC(C)CCOC(=O)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCC(C)CC.[Ba+2]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TSHR P16473 8/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
NR1I2 O75469 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SERPINE1 P05121 1/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 2/20 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
SCHEMBL4639542 0.97 GAA (0.39) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4604652 0.88 ALDH1A1 (0.42) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4603680 0.87 MAPT (0.47) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4604067 0.85 ALDH1A1 (0.42) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4605049 0.85 ALDH1A1 (0.42) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4603148 0.84 MAPT (0.47) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4604346 0.84 MAPT (0.47) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4604670 0.84 ALDH1A1 (0.56) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4603821 0.83 GAA (0.45) GAATSHRALDH1A1MAPK1L3MBTL1
SCHEMBL4604432 0.82 ALDH1A1 (0.43) GAATSHRALDH1A1MAPK1L3MBTL1

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