SCHEMBL6828336

SCHEMBL6828336

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.66
PSMB1 P20618 1/20 0.63
CTSL P07711 6/20 0.62
CTSB P07858 5/20 0.62
CTSS P25774 3/20 0.62
CAPN1 P07384 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
SCHEMBL6828151 0.87 CTSK (0.61) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL6444976 0.84 CTSK (0.72) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL8972715 0.84 CTSK (0.69) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL6828785 0.83 CTSK (0.59) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL11302590 0.83 CTSK (0.74) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL1841693 0.83 CTSK (0.70) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL7344647 0.83 CTSK (0.64) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL7344663 0.83 CTSK (0.64) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL8951282 0.82 CAPN1 (0.66) CTSKPSMB1CTSLCTSBCTSS
SCHEMBL25406813 0.82 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389624-A1 Phosphorous-containing cysteine and serine protease inhibitors CEPHALON, INC. (US) 2004-02-18 EP disclosed
US-5639732-A FOR TREATING NERVOUS SYSTEM DISORDERS OR AS ANTIINFLAMMATORY AGENT CEPHALON, INC. (US) 1997-06-17 US disclosed