SCHEMBL8009845

SCHEMBL8009845

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.[N-]=[N+]=CC=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.61
▸ CTSL P07711 8/20 0.56
▸ CTSB P07858 5/20 0.56
▸ CTSK P43235 5/20 0.55
▸ ACE P12821 1/20 0.53
▸ PSMB1 P20618 1/20 0.53
▸ PSMB5 P28074 1/20 0.53
▸ PSMB2 P49721 1/20 0.53
▸ CTSS P25774 1/20 0.53

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
SCHEMBL7313698 0.96 CAPN1 (0.65) CAPN1CTSLCTSBCTSKPSMB1
SCHEMBL14148469 0.91 CAPN1 (0.72) CAPN1CTSLCTSBCTSKACE
SCHEMBL6276287 0.91 CAPN1 (0.72) CAPN1CTSLCTSBCTSKACE
SCHEMBL6482122 0.91 CAPN1 (0.72) CAPN1CTSLCTSBCTSKACE
SCHEMBL29577873 0.87 CAPN1 (0.60) CAPN1CTSLCTSBCTSKCTSS
SCHEMBL2478311 0.87 CAPN1 (0.67) CAPN1CTSLCTSBCTSKACE
SCHEMBL8584687 0.87 CAPN1 (0.67) CAPN1CTSLCTSBCTSKACE
SCHEMBL931659 0.86 CAPN1 (0.69) CAPN1CTSLCTSBCTSKACE
SCHEMBL7327426 0.86 CAPN1 (0.78) CAPN1CTSLCTSBCTSKCTSS
SCHEMBL27809377 0.86 CAPN1 (0.78) CAPN1CTSLCTSBCTSKCTSS

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
WO-2000033654-A1 USE OF PROTEASE INHIBITORS TO MODULATE CELLULAR PATHWAYS, IMMUNITY AND THERAPIES ASSOCIATED THEREWITH UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2000-06-15 — — WO disclosed
Send feedback