SCHEMBL4606135

SCHEMBL4606135

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 2/20 0.40
CDC25B P30305 1/20 0.38
ACE2 Q9BYF1 2/20 0.37
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
TPMT P51580 1/20 0.33
CA9 Q16790 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
SCHEMBL4603819 0.97 NPSR1 (0.42) NPSR1PKMCDC25BACE2KMT2A
SCHEMBL4603780 0.97 NPSR1 (0.42) NPSR1PKMCDC25BACE2KMT2A
SCHEMBL4606950 0.97 NPSR1 (0.42) NPSR1PKMCDC25BACE2KMT2A
SCHEMBL8407442 0.79 CDC25B (0.46) NPSR1PKMCDC25BKMT2AMAPT
SCHEMBL4603355 0.79 NPSR1 (0.40) NPSR1PKMCDC25BACE2KMT2A
SCHEMBL4603515 0.79 CA12 (0.47) KMT2AMAPTALDH1A1LMNAKDM4E
SCHEMBL4606964 0.78 HRH3 (0.46) PKMKMT2AALDH1A1LMNAKDM4E
SCHEMBL306689 0.77 CDC25B (0.50) PKMCDC25BKMT2AMAPTALDH1A1
SCHEMBL11883765 0.77 CDC25B (0.50) PKMCDC25BKMT2AMAPTALDH1A1
SCHEMBL4605955 0.76 NPSR1 (0.40) NPSR1PKMCDC25BACE2KMT2A

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