SCHEMBL11330116

SCHEMBL11330116

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.64
▸ CTSB P07858 5/20 0.64
▸ CTSS P25774 2/20 0.60
▸ CAPN1 P07384 2/20 0.60
▸ CTSL P07711 1/20 0.60

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
SCHEMBL29359214 1.00 CTSK (0.64) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL11338445 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL15926428 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL25251125 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL14148466 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL25285647 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL9416814 0.89 ALDH1A1 (0.62) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL14479029 0.89 CASP3 (0.55) CTSKCTSBCTSSCTSL
SCHEMBL22209445 0.89 CASP3 (0.55) CTSKCTSBCTSSCTSL
SCHEMBL4575868 0.89 CTSK (0.75) CTSKCTSBCTSSCAPN1CTSL

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-4257940-A Valylleucyllysine derivatives, process for producing same and method for measuring activity of enzymes using same TORII & CO., LTD. (JP) 1981-03-24 — — US disclosed
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