SCHEMBL8320113

SCHEMBL8320113

CCCCCCCC[C@H](CCCCCC)C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MAPK1 P28482 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL77006 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8324703 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL10964155 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL76197 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8374553 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL5698790 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL27499209 1.00 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL7515982 0.98 CA2 (0.52) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL1649192 0.98 CA2 (0.52) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL7511769 0.95 CA2 (0.45) CA2GRIK1GRIK2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609960-B1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER (US) 1999-03-03 EP disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5498786-A Synthesis of intermediates in the preparation of ACAT inhibitors PFIZER INC. (US) 1996-03-12 US disclosed
EP-0569482-B1 SYNTHESIS OF INTERMEDIATES IN THE PREPARATION OF ACAT INHIBITORS PFIZER (US) 1995-08-02 EP disclosed
EP-0418071-B1 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER (US) 1995-04-26 EP disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
WO-1992013843-A1 SYNTHESIS OF INTERMEDIATES IN THE PREPARATION OF ACAT INHIBITORS PFIZER INC. (US) 1992-08-20 WO disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed