SCHEMBL8323141

SCHEMBL8323141

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
HSP90AA1 P07900 1/20 0.42
LMNA P02545 3/20 0.42
DEGS1 O15121 1/20 0.42
POLB P06746 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FAAH O00519 1/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE5A O76074 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 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
SCHEMBL8318289 1.00 CETP (0.43) CETPHSP90AA1LMNADEGS1POLB
SCHEMBL8324408 1.00 CETP (0.43) CETPHSP90AA1LMNADEGS1POLB
SCHEMBL8320742 0.92 SOAT2 (0.51) LMNAPOLBFAAHHPGDKMT2A
SCHEMBL8320743 0.92 SOAT2 (0.51) LMNAPOLBFAAHHPGDKMT2A
SCHEMBL8325945 0.82 SOAT1 (0.47) CETPLMNADEGS1POLBSPHK2
SCHEMBL8326103 0.82 SOAT1 (0.47) CETPLMNADEGS1POLBSPHK2
SCHEMBL8317765 0.82 SOAT1 (0.47) CETPLMNADEGS1POLBSPHK2
SCHEMBL8856202 0.82 DEGS1 (0.48) CETPHSP90AA1LMNADEGS1POLB
SCHEMBL8856160 0.82 DEGS1 (0.48) CETPHSP90AA1LMNADEGS1POLB
SCHEMBL8321117 0.80 SOAT2 (0.50) FAAHHPGDKMT2ACYP2C19ALDH1A1

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