SCHEMBL8856451

SCHEMBL8856451

CCCCCCCCC(SCCCCCC)C(=O)Nc1c(OC)ncnc1SC(C)OCC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 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
SCHEMBL8856162 0.91 MMP9 (0.33) MMP9MMP13ADAM17
SCHEMBL8856326 0.86 MMP9 (0.35) MMP9MMP13ADAM17
SCHEMBL8856079 0.86 PAK1 (0.34) MMP9MMP13ADAM17
SCHEMBL8856159 0.86 PAK1 (0.32) MMP9MMP13ADAM17
SCHEMBL8856916 0.86 MMP9 (0.33) MMP9MMP13ADAM17
SCHEMBL8856289 0.84
SCHEMBL8856574 0.81 MMP9 (0.38) MMP9MMP13ADAM17
SCHEMBL8856083 0.81 MMP9 (0.32) MMP9MMP13ADAM17
SCHEMBL8856423 0.80 MMP9 (0.35) MMP9MMP13ADAM17
SCHEMBL8856450 0.80

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
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
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