SCHEMBL4604896

SCHEMBL4604896

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 4/20 0.34
STS P08842 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 2/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 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
SCHEMBL4605665 0.98 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL4604514 0.89 MAPK1 (0.47) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL4605952 0.88 MAPT (0.53) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605220 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL4603130 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL4605239 0.86 MAPK1 (0.47) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL4604360 0.86 MAPK1 (0.47) ALDH1A1TSHRMAPK1MAPTPKM
SCHEMBL4605895 0.85 MAPT (0.53) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4605864 0.85 MAPT (0.53) ALDH1A1TSHRMAPK1MAPTPOLB
SCHEMBL4604511 0.85 ALDH1A1 (0.49) 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