SCHEMBL16298166

SCHEMBL16298166

CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CMA1 P23946 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CTSF Q9UBX1 1/20 0.48
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP8 Q14790 1/20 0.36
CASP10 Q92851 1/20 0.36

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
SCHEMBL8281652 1.00 ELANE (0.48) ELANECTSVCTSLCTSBCMA1
SCHEMBL16313183 0.89 ELANE (0.40) ELANECTSVCTSLCTSBCMA1
SCHEMBL12161875 0.88 ELANE (0.38) ELANECTSVCTSLCTSBCMA1
SCHEMBL16297917 0.87 ELANE (0.38) ELANECTSVCTSLCTSBCMA1
SCHEMBL8251792 0.87 CTSV (0.50) ELANECTSVCTSLCTSBCMA1
SCHEMBL8251272 0.87 CTSV (0.50) ELANECTSVCTSLCTSBCMA1
SCHEMBL8246563 0.87 CTSV (0.50) ELANECTSVCTSLCTSBCMA1
SCHEMBL16301687 0.87 CTSV (0.45) ELANECTSVCTSLCTSBCMA1
SCHEMBL8279962 0.86 ELANE (0.40) ELANECTSVCTSLCTSBCMA1
SCHEMBL8278883 0.86 ELANE (0.48) ELANECTSVCTSLCTSBCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006113942-A2 METHOD OF INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-10-26 WO disclosed