SCHEMBL4603786

SCHEMBL4603786

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.42
POLB P06746 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 2/20 0.34
CA2 P00918 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 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
SCHEMBL4603400 0.98 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605952 0.90 MAPT (0.53) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605895 0.88 MAPT (0.53) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605864 0.88 MAPT (0.53) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4606012 0.87 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605789 0.87 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605928 0.86 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4603167 0.84 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4604172 0.84 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4604896 0.83 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MAPTPOLB

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