SCHEMBL9015712

SCHEMBL9015712

CCCCCCSCCC(=O)OCCC(C)(C)OOC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
PLA2G4B P0C869 2/20 0.41
DNM1 Q05193 1/20 0.38
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.37
CES2 O00748 3/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 4/20 0.36
CES1 P23141 4/20 0.36
PLA2G6 O60733 1/20 0.36
ACHE P22303 2/20 0.35
PAM P19021 2/20 0.35
PRSS1 P07477 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
SCHEMBL9015664 0.96 DGKA (0.47) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL9015614 0.89 DGKA (0.46) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL9015668 0.89 ADRA2A (0.32) DGKAMAPTBLM
SCHEMBL9015663 0.86 DGKA (0.43) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL9015739 0.85 CES2 (0.37) DGKAPLA2G4BCES2GMNNTP53
SCHEMBL17364480 0.81 DGKA (0.66) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL9763789 0.80 NAAA (0.58) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL31127509 0.80 NAAA (0.58) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL17107450 0.80 NAAA (0.58) DGKAPLA2G4BDNM1HTR2CNAAA
SCHEMBL9015599 0.79 CES2 (0.41) DGKAPLA2G4BCES2GMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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