SCHEMBL8319650

SCHEMBL8319650

CCCCCCCC[C@@H](SCCCCCC)C(=O)Nc1c(SC)cc(C)nc1SC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 7/20 0.38
GPR84 Q9NQS5 2/20 0.35
SOAT2 O75908 1/20 0.34
ACAT1 P24752 1/20 0.34
LMNA P02545 1/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6123211 1.00 SOAT1 (0.38) SOAT1GPR84SOAT2ACAT1LMNA
SCHEMBL8321431 1.00 SOAT1 (0.38) SOAT1GPR84SOAT2ACAT1LMNA
SCHEMBL29427721 1.00 SOAT1 (0.38) SOAT1GPR84SOAT2ACAT1LMNA
SCHEMBL8322961 0.93 SOAT1 (0.36) SOAT1LMNAPPARAPPARG
SCHEMBL8325248 0.90 SOAT1 (0.37) SOAT1GPR84LMNAPPARAPPARG
SCHEMBL8323636 0.86 SOAT1 (0.38) SOAT1LMNA
SCHEMBL9225723 0.85 SOAT1 (0.38) SOAT1GPR84
SCHEMBL8323242 0.85 EPHX1 (0.34) SOAT1SOAT2ACAT1LMNAPPARA
SCHEMBL8322453 0.85 EPHX1 (0.34) SOAT1SOAT2ACAT1LMNAPPARA
SCHEMBL8327680 0.85 EPHX1 (0.34) SOAT1SOAT2ACAT1LMNAPPARA

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