SCHEMBL8326103

SCHEMBL8326103

CCCCCCCCCCCCCC(=O)Nc1c(SC)cc(C)nc1SC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.47
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
CETP P11597 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
DEGS1 O15121 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8325945 1.00 SOAT1 (0.47) SOAT1POLBHPGDCETPGAA
SCHEMBL8317765 1.00 SOAT1 (0.47) SOAT1POLBHPGDCETPGAA
SCHEMBL8325288 0.93 SOAT1 (0.49) SOAT1HPGDGAATDP1MAPK1
SCHEMBL8321086 0.93 SOAT1 (0.49) SOAT1HPGDGAATDP1MAPK1
SCHEMBL9000921 0.89 SOAT1 (0.41) SOAT1POLBHPGDCETPGAA
SCHEMBL9000483 0.89 SOAT1 (0.41) SOAT1POLBHPGDCETPGAA
SCHEMBL9000882 0.89 SOAT1 (0.41) SOAT1POLBHPGDCETPGAA
SCHEMBL9000801 0.89 SOAT1 (0.41) SOAT1POLBHPGDCETPGAA
SCHEMBL9000736 0.89 SOAT1 (0.41) SOAT1POLBHPGDCETPGAA
SCHEMBL4990313 0.89 SOAT1 (0.46) SOAT1POLBHPGDGAAMAPK1

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