SCHEMBL9015710

SCHEMBL9015710

CCCCCC(C)(C)OOC(=O)CCSCCC(=O)OOC(C)(C)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.35
DGKA P23743 1/20 0.33
CES1 P23141 5/20 0.33
CES2 O00748 5/20 0.33
FAAH O00519 4/20 0.33
PLA2G6 O60733 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL9015599 0.91 CES2 (0.41) PLA2G4BDGKACES1CES2FAAH
SCHEMBL9015739 0.86 CES2 (0.37) PLA2G4BDGKACES1CES2FAAH
SCHEMBL10713777 0.85 DGKA (0.48) DGKACES1CES2ALDH1A1MAPT
SCHEMBL10713997 0.85 DGKA (0.48) DGKACES1CES2ALDH1A1MAPT
SCHEMBL10713013 0.84 DGKA (0.38) DGKACES1CES2ALDH1A1TP53
SCHEMBL31620146 0.81 PAM (0.49) DGKACES1CES2ALDH1A1MAPT
SCHEMBL31620144 0.81 PAM (0.49) DGKACES1CES2ALDH1A1MAPT
SCHEMBL1581535 0.81 DGKA (0.47) DGKACES1CES2FAAHALDH1A1
SCHEMBL9015745 0.80 LMNA (0.30) HSD17B10LMNA
SCHEMBL19118231 0.80 DGKA (0.50) DGKACES1CES2ALDH1A1MAPT

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