SCHEMBL4604772

SCHEMBL4604772

CCCCCOC(=O)c1ccc(C(=O)OCCCCC)c(S(=O)(=O)[O-])c1.CCCCCOC(=O)c1ccc(C(=O)OCCCCC)c(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
STS P08842 7/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
ESR1 P03372 4/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47

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
SCHEMBL4604666 0.97 TSHR (0.51) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4606485 0.97 TSHR (0.51) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4604229 0.96 ESR1 (0.51) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4605699 0.94 ESR1 (0.51) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4605050 0.94 ESR1 (0.51) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4604511 0.91 ALDH1A1 (0.49) TSHRMAPK1STSALDH1A1LMNA
SCHEMBL4604058 0.88 ALDH1A1 (0.49) TSHRMAPK1STSALDH1A1LMNA
SCHEMBL4603152 0.88 ALDH1A1 (0.49) TSHRMAPK1STSALDH1A1LMNA
Cesium SCHEMBL4607228 0.86 TSHR (0.52) TSHRMAPK1TP53CYP3A4STS
SCHEMBL4605691 0.86 TSHR (0.52) TSHRMAPK1TP53CYP3A4STS

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