SCHEMBL4446775

SCHEMBL4446775

CCCCCCCC[Sn+2]CCCCCCCC.COC(C)(CC(=O)[O-])C(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
FABP3 P05413 5/20 0.33
CES1 P23141 7/20 0.32
CES2 O00748 5/20 0.32
FAAH O00519 5/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4454601 1.00 CA2 (0.33) CA2FABP3CES1CES2FAAH
SCHEMBL674453 1.00 CA2 (0.33) CA2FABP3CES1CES2FAAH
SCHEMBL674558 0.94 CA1 (0.33)
SCHEMBL672941 0.75 CA4 (0.34)
Propionic Acid SCHEMBL9858986 0.74 CES2 (0.46) CA2FABP3CES1CES2
Propionic Acid SCHEMBL6432651 0.74 CES2 (0.46) CA2FABP3CES1CES2
SCHEMBL672838 0.73 CA2 (0.31) CA2
Glycolic Acid SCHEMBL25274682 0.73 CES2 (0.44) CA2FABP3CES1CES2HSD17B10
Glycolic Acid SCHEMBL7650210 0.73 CES2 (0.44) CA2FABP3CES1CES2HSD17B10
Succinic Acid SCHEMBL10749603 0.73 CA1 (0.54) FABP3CES1CES2

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