SCHEMBL8856532

SCHEMBL8856532

CCCCCCCCC(SCCCCCC)C(=O)Nc1c(C)ccnc1Sc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NAAA Q02083 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC1 Q13547 1/20 0.31
PTK2 Q05397 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
SCHEMBL8856377 0.89 MMP9 (0.38) MMP9MMP13ADAM17LMNAMAPT
SCHEMBL8856240 0.86 SOAT2 (0.36) SOAT2ACAT1SOAT1MMP9MMP13
SCHEMBL8856473 0.86 GPR84 (0.38) SOAT2ACAT1SOAT1MMP9MMP13
SCHEMBL8856260 0.79 GAA (0.37) SOAT2ACAT1SOAT1MAPT
SCHEMBL8856530 0.79 LMNA (0.31) LMNAMAPTHTTNAAA
SCHEMBL8856180 0.77 GPR84 (0.36) SOAT2ACAT1SOAT1MMP9MMP13
SCHEMBL8856685 0.77 TRPV1 (0.38) SOAT2ACAT1SOAT1LMNAHTT
SCHEMBL8856150 0.74 ALDH1A1 (0.44) SOAT2ACAT1SOAT1LMNAHTT
SCHEMBL8856574 0.74 MMP9 (0.38) MMP9MMP13ADAM17
SCHEMBL8856190 0.73 PYGL (0.42) SOAT2ACAT1SOAT1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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