SCHEMBL6661796

SCHEMBL6661796

CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.54
CTSL P07711 3/20 0.54
CTSS P25774 3/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
CASP3 P42574 3/20 0.50
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
CASP10 Q92851 1/20 0.50
PSMB5 P28074 1/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48

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
SCHEMBL6666188 0.89 CTSB (0.57) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL6662946 0.88 PSMB5 (0.55) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL15462629 0.85 CASP1 (0.56) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL20052435 0.85 CASP1 (0.56) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL20052390 0.85 CASP1 (0.56) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL20052400 0.84 MME (0.50) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL15462622 0.84 MME (0.50) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL20356162 0.84 MME (0.50) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL13471247 0.84 CASP3 (0.50) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL6661794 0.84 CTSB (0.51) CTSBCTSLCTSSMEN1KMT2A

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-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO disclosed