SCHEMBL10141073

SCHEMBL10141073

COC(=O)C(=O)C(CC(C)C)NC(=O)[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CTSF Q9UBX1 1/20 0.41
▸ F13A1 P00488 2/20 0.38
▸ TGM2 P21980 2/20 0.38

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
SCHEMBL12605772 1.00 CTSV (0.41) CTSVCTSLCTSBELANECMA1
SCHEMBL16349178 1.00 CTSV (0.41) CTSVCTSLCTSBELANECMA1
SCHEMBL16300747 1.00 CTSV (0.41) CTSVCTSLCTSBELANECMA1
SCHEMBL12605773 0.93 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL16300801 0.93 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL10141074 0.93 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL14470160 0.92 CTSV (0.50) CTSVCTSLCTSBELANECMA1
SCHEMBL10140306 0.92 CTSV (0.50) CTSVCTSLCTSBELANECMA1
SCHEMBL10141131 0.92 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL12605792 0.92 CTSV (0.42) CTSVCTSLCTSBELANECMA1

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
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
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