SCHEMBL8323947

SCHEMBL8323947

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.32
PPARA Q07869 5/20 0.31
PPARG P37231 4/20 0.31
PTGES O14684 2/20 0.31
PPARD Q03181 1/20 0.31
ALOX5 P09917 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 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
SCHEMBL8322817 0.90 PPARA (0.32) SPHK1PPARAPPARGPTGESPPARD
SCHEMBL8322453 0.89 EPHX1 (0.34) SPHK1PPARAPPARG
SCHEMBL8327680 0.89 EPHX1 (0.34) SPHK1PPARAPPARG
SCHEMBL8323242 0.89 EPHX1 (0.34) SPHK1PPARAPPARG
SCHEMBL8320377 0.87 HDAC8 (0.38)
SCHEMBL8325248 0.83 SOAT1 (0.37) PPARAPPARGPTGESPPARDGPR84
SCHEMBL8323342 0.79 LMNA (0.34) PPARAPPARGPTGESALOX5
SCHEMBL8319274 0.78 LMNA (0.34) PPARAMMP9MMP13ADAM17GPR84
SCHEMBL8323141 0.77 CETP (0.43) SPHK1
SCHEMBL8324408 0.77 CETP (0.43) SPHK1

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