SCHEMBL16770328

SCHEMBL16770328

CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.65
▸ CTSL P07711 5/20 0.61
▸ CTSS P25774 3/20 0.61
▸ CTSB P07858 1/20 0.61
▸ MMP3 P08254 1/20 0.61
▸ CAPN1 P07384 2/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.58

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
SCHEMBL13589982 0.91 CTSK (0.64) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL5827200 0.91 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL14433713 0.91 CTSK (0.64) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL31094975 0.91 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL13888706 0.90 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL6945614 0.90 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL1175268 0.90 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL19190688 0.88 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8014485 0.88 CAPN1 (0.72) CTSKCTSLCTSSCTSBMMP3
SCHEMBL31729514 0.87 CAPN1 (0.68) CTSKCTSLCTSSCTSBCAPN1

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-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 — — US disclosed
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