SCHEMBL8323242

SCHEMBL8323242

CCCCCCCCC(SCCCCCC)C(=O)Nc1c(SC)nc(C)nc1SC

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
SOAT2 O75908 1/20 0.33
ACAT1 P24752 1/20 0.33
SOAT1 P35610 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
ALPL P05186 1/20 0.32
XBP1 P17861 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
PPARA Q07869 2/20 0.30
PPARG P37231 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8322453 1.00 EPHX1 (0.34) EPHX1SOAT2ACAT1SOAT1LMNA
SCHEMBL8327680 1.00 EPHX1 (0.34) EPHX1SOAT2ACAT1SOAT1LMNA
SCHEMBL8322817 0.92 PPARA (0.32) SPHK1PPARAPPARGHSD17B10
SCHEMBL8323342 0.91 LMNA (0.34) EPHX1SOAT2ACAT1SOAT1LMNA
SCHEMBL8319274 0.89 LMNA (0.34) EPHX1SOAT2ACAT1SOAT1LMNA
SCHEMBL8323947 0.89 SPHK1 (0.32) SPHK1PPARAPPARG
SCHEMBL8856259 0.86 EPHX1 (0.34) EPHX1SOAT2ACAT1SOAT1HSD17B10
SCHEMBL6123211 0.85 SOAT1 (0.38) SOAT2ACAT1SOAT1LMNASMN1; SMN2
SCHEMBL8319650 0.85 SOAT1 (0.38) SOAT2ACAT1SOAT1LMNASMN1; SMN2
SCHEMBL8321431 0.85 SOAT1 (0.38) SOAT2ACAT1SOAT1LMNASMN1; SMN2

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 10 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 claimed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP claimed
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 claimed
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-0418071-B1 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER (US) 1995-04-26 EP 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
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO 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