SCHEMBL8323661

SCHEMBL8323661

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.42
POLB P06746 3/20 0.38
CYP2C9 P11712 2/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8326103 0.85 SOAT1 (0.47) SOAT1POLBHSD17B10HPGD
SCHEMBL8325945 0.85 SOAT1 (0.47) SOAT1POLBHSD17B10HPGD
SCHEMBL8317765 0.85 SOAT1 (0.47) SOAT1POLBHSD17B10HPGD
SCHEMBL8325262 0.85 GPR84 (0.40) POLBCYP2C9CES2GMNNTP53
SCHEMBL9000855 0.85 SOAT1 (0.37) SOAT1POLBCYP2C9THRBRXFP1
SCHEMBL8856167 0.81 CES2 (0.38) POLBCYP2C9CES2GMNNTP53
SCHEMBL9000971 0.81 SMN1; SMN2 (0.40) SOAT1MAPTCYP1A2CYP2D6
SCHEMBL9000921 0.80 SOAT1 (0.41) SOAT1POLBCES2GPR84HPGD
SCHEMBL9000882 0.80 SOAT1 (0.41) SOAT1POLBCES2GPR84HPGD
SCHEMBL9000801 0.80 SOAT1 (0.41) SOAT1POLBCES2GPR84HPGD

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 4 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
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