SCHEMBL9015721

SCHEMBL9015721

CCCCCCCC(S)C(=O)OC(C)CC(C)(C)OOOC(=O)C(CC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
CA1 P00915 4/20 0.39
FAAH O00519 5/20 0.36
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL9015632 0.82 FAAH (0.42) CA2FAAHCNR1CNR2
SCHEMBL7756873 0.81 CA2 (0.42) CA2CA1MAPK1GAAXBP1
SCHEMBL7759343 0.81 CA2 (0.41) CA2CA1MAPK1GAAXBP1
SCHEMBL9015784 0.79 CA2 (0.36) CA2CA1FAAHMAPK1CNR1
SCHEMBL601442 0.78 CA2 (0.49) CA2CA1MAPK1GAAXBP1
SCHEMBL10343162 0.75 CA2 (0.51) CA2CA1MAPK1GAAXBP1
SCHEMBL10753123 0.75 CA2 (0.50) CA2CA1MAPK1GAAXBP1
Dodecane SCHEMBL12472594 0.75 CA2 (0.54) CA2CA1MAPK1GAAXBP1
SCHEMBL24902 0.75 CA2 (0.54) CA2CA1MAPK1GAAXBP1
SCHEMBL8614728 0.75 CA2 (0.45) CA2CA1FAAHMAPK1GAA

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
EP-0344733-A2 Novel antioxidant-peroxides and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-12-06 EP claimed
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed
EP-0344733-A2 Novel antioxidant-peroxides and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-12-06 EP disclosed