SCHEMBL15926438

SCHEMBL15926438

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ncc[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.59
CTSK P43235 7/20 0.58
CTSL P07711 7/20 0.55
CTSB P07858 6/20 0.55
CTSS P25774 3/20 0.55

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
SCHEMBL14148283 1.00 CAPN1 (0.59) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL5711394 0.90 ITGB3 (0.54) CTSLCTSBCTSS
SCHEMBL7327426 0.84 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL27809377 0.84 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL9828791 0.84 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL6466337 0.84 CTSK (0.60) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL25406813 0.83 CTSK (0.77) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL20770085 0.83 CTSK (0.77) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL8823918 0.83 CTSK (0.77) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL4872585 0.83 CTSK (0.77) CAPN1CTSKCTSLCTSBCTSS

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-8796202-B2 Multi-valent poly-Ubl chain inhibitors and methods of use CITY OF HOPE (US) 2014-08-05 US disclosed