SCHEMBL8856147

SCHEMBL8856147

CCCCCCCCC(SCCCCCC)C(=O)Nc1c(SCC)ncnc1SCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
PAK1 Q13153 1/20 0.34
KDM6B O15054 2/20 0.33
KDM4A O75164 2/20 0.33
KDM4D Q6B0I6 2/20 0.33
KDM3B Q7LBC6 2/20 0.33
HIF1AN Q9NWT6 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
EPHX1 P07099 1/20 0.33
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL8856916 0.91 MMP9 (0.33) MMP9MMP13ADAM17PAK1
SCHEMBL8856627 0.91 MMP9 (0.33) MMP9MMP13ADAM17PAK1
SCHEMBL8856259 0.89 EPHX1 (0.34) MMP9MMP13ADAM17PAK1KDM6B
SCHEMBL8319274 0.86 LMNA (0.34) MMP9MMP13ADAM17KDM6BKDM4A
SCHEMBL8856240 0.86 SOAT2 (0.36) MMP9MMP13ADAM17KDM6BKDM4A
SCHEMBL8856079 0.84 PAK1 (0.34) MMP9MMP13ADAM17PAK1KDM6B
SCHEMBL8856159 0.84 PAK1 (0.32) MMP9MMP13ADAM17PAK1
SCHEMBL8856423 0.81 MMP9 (0.35) MMP9MMP13ADAM17EPHX1SOAT2
SCHEMBL8856326 0.81 MMP9 (0.35) MMP9MMP13ADAM17EPHX1
SCHEMBL8856083 0.81 MMP9 (0.32) 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 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