SCHEMBL4450986

SCHEMBL4450986

CCC(C(C)=O)C(=O)O.CCC(C(C)=O)C(=O)O.CCC(C(C)=O)C(=O)O.CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
MAPK1 P28482 1/20 0.41
CES1 P23141 3/20 0.35
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
CES2 O00748 2/20 0.34
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL17550733 1.00 CA2 (0.41) CA2MAPK1CES1GPR84FFAR1
SCHEMBL4443461 0.96 CA2 (0.41) CA2MAPK1CES1GPR84FFAR1
SCHEMBL1230029 0.86 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL449993 0.86 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL1229548 0.86 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL1681963 0.82 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL261344 0.82 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL1229453 0.82 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL829930 0.82 CA2 (0.41) CA2MAPK1CES1CES2
SCHEMBL6681534 0.82 CA2 (0.41) CA2MAPK1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
EP-1146099-B1 Coating composition, method for producing the same, cured product and coating film JSR CORP (JP) 2006-03-22 EP disclosed
EP-1138732-B1 Coating composition and cured product JSR CORP (JP) 2005-08-31 EP disclosed
US-6756124-B2 POLYSILOXANE; DURABILITY, ADHESION, STORAGE STABILITY JSR CORPORATION (JP) 2004-06-29 US disclosed
US-6726997-B2 WWATERPROOF, HARDNESS, RATION TRANSPARENT; PROTECTIVE COATINGS JSR CORPORATION (JP) 2004-04-27 US disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed
US-20020146573-A1 Polymer composition, cured product, laminate and method for producing the cured product JSR CORPORATION (JP) 2002-10-10 US disclosed
EP-1229092-A2 Polymer composition, cured product, laminate and method for producing the cured product JSR Corporation (JP) 2002-08-07 EP disclosed
US-20020051889-A1 Coating composition and cured product JSR CORPORATION (JP) 2002-05-02 US disclosed
US-20020007006-A1 Coating composition, method for producing the same, cured product and coating film JSR CORPORATION (JP) 2002-01-17 US disclosed
EP-1146099-A2 Coating composition, method for producing the same, cured product and coating film JSR Corporation (JP) 2001-10-17 EP disclosed
EP-1138732-A2 Coating composition and cured product JSR Corporation (JP) 2001-10-04 EP disclosed