SCHEMBL8325263

SCHEMBL8325263

CCCCCCCCCCCCCC(=S)Nc1c(SCC)cc(C)nc1SCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
GPR84 Q9NQS5 1/20 0.34
GAA P10253 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM2 P50570 4/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALOX12 P18054 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CYP2C9 P11712 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8320455 0.86 HPGD (0.43) GPR84GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8323664 0.84 SOAT1 (0.43) SOAT1GPR84GAAHTTL3MBTL1
SCHEMBL8856090 0.79 SOAT1 (0.46) SOAT1GPR84HTTSMN1; SMN2ALOX12
SCHEMBL8325262 0.78 GPR84 (0.40) GPR84GAAHTTMAPTNPSR1
SCHEMBL4983367 0.77 MAPK1 (0.39) SOAT1GAAL3MBTL1CYP1A2CYP3A4
SCHEMBL8856401 0.77 SOAT1 (0.48) SOAT1L3MBTL1ALDH1A1
SCHEMBL4985802 0.73 RXFP1 (0.40) GAAMAPTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL8341668 0.71 EPHX2 (0.35)
SCHEMBL8325945 0.70 SOAT1 (0.47) SOAT1GAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8317765 0.70 SOAT1 (0.47) SOAT1GAAL3MBTL1SMN1; SMN2ALDH1A1

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 5 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-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
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