SCHEMBL13784236

SCHEMBL13784236

CC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c2cccc3cccnc23)CC[C@H]1C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.61
CTSL P07711 15/20 0.61
CTSS P25774 15/20 0.61
CTSB P07858 3/20 0.49
CTSV O60911 2/20 0.49
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40

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
SCHEMBL4316121 0.94 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4316126 0.94 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4321792 0.93 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4321788 0.93 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784234 0.79 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6577836 0.79 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4557501 0.78 CTSK (0.47) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL4557499 0.78 CTSK (0.47) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7478030 0.76 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842102 0.75 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV

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-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed