SCHEMBL4604652

SCHEMBL4604652

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 5/20 0.40
CYP19A1 P11511 1/20 0.37
SERPINE1 P05121 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP3 P08254 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL4604067 0.97 ALDH1A1 (0.42) ALDH1A1GAAPKMKMT2AKDM4E
SCHEMBL4605049 0.97 ALDH1A1 (0.42) ALDH1A1GAAPKMKMT2AKDM4E
SCHEMBL4603821 0.92 GAA (0.45) ALDH1A1GAAPKMKMT2AKDM4E
SCHEMBL4606193 0.89 GAA (0.45) ALDH1A1GAAPKMKMT2AKDM4E
SCHEMBL4604715 0.89 GAA (0.45) ALDH1A1GAAPKMKMT2AKDM4E
SCHEMBL4638394 0.88 GAA (0.39) ALDH1A1GAAKDM4EGABRA1GABRB1
SCHEMBL4603319 0.86 ALDH1A1 (0.57) ALDH1A1GAAKMT2AKDM4EMAPK1
SCHEMBL4639542 0.85 GAA (0.39) ALDH1A1GAAKDM4EGABRA1GABRB1
SCHEMBL4604670 0.84 ALDH1A1 (0.56) ALDH1A1GAAKDM4EMAPK1HSD17B10
SCHEMBL4605152 0.83 ALDH1A1 (0.57) ALDH1A1GAAKMT2AKDM4EMAPK1

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