SCHEMBL4445011

SCHEMBL4445011

CC(C)(CCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCCC[Sn+2]CCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
FABP3 P05413 7/20 0.44
NFKB1 P19838 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL674331 1.00 CA1 (0.44) CA1FABP3NFKB1GPR84CES2
SCHEMBL4452373 1.00 CA1 (0.44) CA1FABP3NFKB1GPR84CES2
SCHEMBL673918 0.94 CA1 (0.47) CA1FABP3NFKB1FFAR3HDAC3
SCHEMBL4447843 0.84 CA1 (0.44) CA1FABP3NFKB1GPR84CES2
SCHEMBL4446797 0.84 CA1 (0.44) CA1FABP3NFKB1GPR84CES2
SCHEMBL18166906 0.83 CA1 (0.34) CA1CES2CES1
Stearic Acid SCHEMBL4454259 0.83 FABP3 (0.60) CA1FABP3NFKB1GPR84CES2
Octanoic Acid SCHEMBL18420918 0.83 FABP3 (0.60) CA1FABP3NFKB1GPR84CES2
Adipic Acid SCHEMBL8369794 0.83 FABP3 (0.60) CA1FABP3NFKB1GPR84CES2
Octanoic Acid SCHEMBL916529 0.83 FABP3 (0.60) CA1FABP3NFKB1GPR84CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed