SCHEMBL4605181

SCHEMBL4605181

O=C(OC1CCCCC1)c1ccc(C(=O)OC2CCCCC2)c(S(=O)(=O)[O-])c1.O=C(OC1CCCCC1)c1ccc(C(=O)OC2CCCCC2)c(S(=O)(=O)[O-])c1.[Mg+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
MAPK1 P28482 1/20 0.39
DUSP1 P28562 1/20 0.39

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
SCHEMBL4605115 0.97 STS (0.50) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL4605323 0.97 STS (0.50) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL4605205 0.85 STS (0.51) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL4606046 0.85 STS (0.51) STSSMN1; SMN2RAB9ANPC1HTT
Cesium SCHEMBL4604579 0.85 STS (0.51) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL4605020 0.85 STS (0.51) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL31069911 0.81 SMN1; SMN2 (0.54) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL828481 0.81 SMN1; SMN2 (0.54) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL31069912 0.81 SMN1; SMN2 (0.54) STSSMN1; SMN2RAB9ANPC1HTT
SCHEMBL4604265 0.81 NPC1 (0.47) STSSMN1; SMN2RAB9ANPC1HTT

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