SCHEMBL500730

SCHEMBL500730

COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.[Ba+2].[Ba+2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 4/20 0.48
CA7 P43166 1/20 0.48
KDM4E B2RXH2 4/20 0.48
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
XDH P47989 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.44
FBP1 P09467 1/20 0.44

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
SCHEMBL3683752 1.00 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL260648 0.96 CA12 (0.48) CA12CA1CA2CA9CA14
Potassium Ion SCHEMBL472611 0.96 CA12 (0.48) CA12CA1CA2CA9CA14
Lithium Ion SCHEMBL472702 0.96 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL4603618 0.96 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL500878 0.96 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL4604488 0.96 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL9556912 0.93 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL4655372 0.90 KDM4E (0.43) CA12CA1CA2CA9CA14
SCHEMBL6394369 0.84 TSHR (0.47) CA12CA1CA2CA9CA14

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252852-B2 Biodegradable resin composition KAO CORPORATION (JP) 2012-08-28 US claimed
US-8252852-B2 Biodegradable resin composition KAO CORPORATION (JP) 2012-08-28 US disclosed
US-8119706-B2 Biodegradable resin composition KAO CORPORATION (JP) 2012-02-21 US disclosed
US-8106112-B2 Biodegradable resin composition KAO CORPORATION (JP) 2012-01-31 US disclosed
EP-2067822-B1 BIODEGRADABLE RESIN COMPOSITION KAO CORP (JP) 2011-12-28 EP disclosed
US-20110124770-A1 BIODEGRADABLE RESIN COMPOSITION TAKENAKA AKIRA 2011-05-26 US disclosed
US-20100331446-A1 BIODEGRADABLE RESIN COMPOSITION TAKENAKA AKIRA 2010-12-30 US disclosed
US-7812066-B2 Biodegradable resin composition KAO CORPORATION (JP) 2010-10-12 US disclosed
US-20100210756-A1 BIODEGRADABLE RESIN COMPOSITION TAKENAKA AKIRA 2010-08-19 US disclosed
US-20100063177-A1 BIODEGRADABLE RESIN COMPOSITION KAO CORPORATION (JP) 2010-03-11 US disclosed
EP-2067822-A1 BIODEGRADABLE RESIN COMPOSITION Kao Corporation (JP) 2009-06-10 EP disclosed