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SCHEMBL6278760

SCHEMBL6278760

CC(=O)NC(C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1)C(C)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.69
▸ CTSS P25774 3/20 0.52
▸ CCR1 P32246 1/20 0.36
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CTSV O60911 2/20 0.34
▸ CTSL P07711 2/20 0.34

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
SCHEMBL4040527 0.92 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4041814 0.91 CTSK (0.79) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4049093 0.90 CTSK (0.70) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4042018 0.88 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4047492 0.88 CTSK (0.74) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4048700 0.87 CTSK (0.73) CTSKCTSSCCR1
SCHEMBL4038740 0.87 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4041000 0.87 CTSK (0.73) CTSKCTSSCCR1CTSL
SCHEMBL4038286 0.86 CTSK (0.72) CTSKCTSSCCR1
SCHEMBL4037118 0.85 CTSK (0.71) CTSKCTSSCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 — — EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 — — WO disclosed