SCHEMBL8319274

SCHEMBL8319274

CCCCCCCCC(SCCCCCC)C(=O)Nc1c(SCC)nc(C)nc1SCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
ALPL P05186 1/20 0.34
EPHX1 P07099 1/20 0.33
XBP1 P17861 1/20 0.33
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
PPARA Q07869 1/20 0.32
GPR84 Q9NQS5 4/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM3B Q7LBC6 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL8323242 0.89 EPHX1 (0.34) LMNASMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL8322453 0.89 EPHX1 (0.34) LMNASMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL8327680 0.89 EPHX1 (0.34) LMNASMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL8856147 0.86 MMP9 (0.35) LMNASMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL8322817 0.83 PPARA (0.32) PPARAGPR84
SCHEMBL8856240 0.81 SOAT2 (0.36) EPHX1SOAT2ACAT1SOAT1PPARA
SCHEMBL8323342 0.80 LMNA (0.34) LMNASMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL8323947 0.78 SPHK1 (0.32) PPARAGPR84MMP9MMP13ADAM17
SCHEMBL8856259 0.78 EPHX1 (0.34) EPHX1SOAT2ACAT1SOAT1KDM6B
SCHEMBL8856916 0.78 MMP9 (0.33) MMP9MMP13ADAM17

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