SCHEMBL4605983

SCHEMBL4605983

O=C(OC1CCCCC1)c1ccc(S(=O)(=O)[O-])cc1C(=O)OC1CCCCC1.O=C(OC1CCCCC1)c1ccc(S(=O)(=O)[O-])cc1C(=O)OC1CCCCC1.[Ba+2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
STS P08842 4/20 0.45
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
YAP1 P46937 1/20 0.40
MMP2 P08253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A3 Q01959 1/20 0.38
HTT P42858 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4604128 0.97 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL4604265 0.97 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL4605115 0.81 STS (0.50) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL4605687 0.81 STS (0.49) NPC1RAB9ASTSMMP9MMP12
SCHEMBL4605323 0.78 STS (0.50) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL4605181 0.78 STS (0.50) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL4604227 0.78 STS (0.49) NPC1RAB9ASTSMMP9MMP12
SCHEMBL4605228 0.78 STS (0.49) NPC1RAB9ASTSMMP9MMP12
SCHEMBL828645 0.77 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL828481 0.76 SMN1; SMN2 (0.54) NPC1RAB9AMEN1KMT2ASTS

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