SCHEMBL4605211

SCHEMBL4605211

CC(C)CC(OC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)O)C(C)C.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CSNK2A2 P19784 4/20 0.37
CSNK2B P67870 4/20 0.37
CSNK2A1 P68400 4/20 0.37
CSNK2A3 Q8NEV1 4/20 0.37
ACE2 Q9BYF1 2/20 0.36
PKM P14618 2/20 0.36
CDC25B P30305 2/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRIA4 P48058 1/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CDC25A P30304 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
SCHEMBL4605880 0.98 KDM4E (0.41) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4605259 0.98 KDM4E (0.41) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4605657 0.98 KDM4E (0.41) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4603355 0.81 NPSR1 (0.40) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4605210 0.79 NPSR1 (0.40) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4606971 0.79 NPSR1 (0.40) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4605955 0.79 NPSR1 (0.40) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4606964 0.78 HRH3 (0.46) KDM4EPKMKMT2ASMN1; SMN2CA1
SCHEMBL4604651 0.76 PRKCA (0.45) NPSR1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL4606135 0.76 NPSR1 (0.42) KDM4ENPSR1CSNK2A2CSNK2BCSNK2A1

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