SCHEMBL11338445

SCHEMBL11338445

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.65
▸ CTSB P07858 2/20 0.65
▸ MME P08473 1/20 0.63
▸ ECE1 P42892 1/20 0.63
▸ CTSS P25774 2/20 0.61
▸ CTSL P07711 1/20 0.61
▸ CAPN1 P07384 1/20 0.59
▸ CASP3 P42574 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
SCHEMBL14148466 1.00 CTSK (0.65) CTSKCTSBMMEECE1CTSS
SCHEMBL15926428 1.00 CTSK (0.65) CTSKCTSBMMEECE1CTSS
SCHEMBL25285647 1.00 CTSK (0.65) CTSKCTSBMMEECE1CTSS
SCHEMBL25251125 1.00 CTSK (0.65) CTSKCTSBMMEECE1CTSS
SCHEMBL29544461 0.95 CTSK (0.61) CTSKCTSBMMEECE1CTSS
SCHEMBL29359214 0.92 CTSK (0.64) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL11330116 0.92 CTSK (0.64) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL15926429 0.90 CTSB (0.65) CTSKCTSBMMEECE1CTSS
SCHEMBL14148468 0.90 CTSB (0.65) CTSKCTSBMMEECE1CTSS
SCHEMBL25287172 0.89 ECE1 (0.61) CTSKCTSBMMEECE1CTSS

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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