SCHEMBL8856086

SCHEMBL8856086

CCCCCCCCCCCCSCC(=O)Nc1c(SCC)ccnc1SCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
CES2 O00748 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
GMNN O75496 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G4B P0C869 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
FAAH O00519 4/20 0.35
CES1 P23141 4/20 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
SCHEMBL8856167 0.85 CES2 (0.38) GPR84CES2TP53MAPTPOLB
SCHEMBL8856395 0.84 CES2 (0.42) CES2TP53MAPTPOLBGMNN
SCHEMBL8325262 0.82 GPR84 (0.40) GPR84CES2TP53MAPTPOLB
SCHEMBL8856090 0.76 SOAT1 (0.46) GPR84POLBHTTKDM4ELMNA
SCHEMBL8856124 0.73 CES2 (0.43) CES2TP53MAPTPOLBGMNN
SCHEMBL8323661 0.71 SOAT1 (0.42) GPR84CES2TP53MAPTPOLB
SCHEMBL15341569 0.69 HPGD (0.56) CES2TP53MAPTPOLBGMNN
SCHEMBL9050595 0.69 SOAT1 (0.54)
SCHEMBL9049272 0.69 SOAT1 (0.54)
SCHEMBL9050107 0.69 SOAT1 (0.54)

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
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
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP 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