SCHEMBL8325248

SCHEMBL8325248

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

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.37
LMNA P02545 1/20 0.33
PPARA Q07869 3/20 0.32
PPARG P37231 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PTGES O14684 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL8322961 0.91 SOAT1 (0.36) SOAT1LMNAPPARAPPARGKDM4E
SCHEMBL6123211 0.90 SOAT1 (0.38) SOAT1LMNAPPARAPPARGGPR84
SCHEMBL29427721 0.90 SOAT1 (0.38) SOAT1LMNAPPARAPPARGGPR84
SCHEMBL8319650 0.90 SOAT1 (0.38) SOAT1LMNAPPARAPPARGGPR84
SCHEMBL8321431 0.90 SOAT1 (0.38) SOAT1LMNAPPARAPPARGGPR84
SCHEMBL8323636 0.89 SOAT1 (0.38) SOAT1LMNA
SCHEMBL9225723 0.88 SOAT1 (0.38) SOAT1KDM4EALDH1A1GPR84
SCHEMBL9231866 0.87 SOAT1 (0.39) SOAT1PPARAPPARGPTGESPPARD
SCHEMBL8323947 0.83 SPHK1 (0.32) PPARAPPARGGPR84PTGESPPARD
SCHEMBL9000693 0.81 EPHX1 (0.37) SOAT1

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
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