SCHEMBL7830243

SCHEMBL7830243

CC(C)C[C@@H](N)C(=O)NC(NC(=O)Cc1cccc(-c2ccccn2)c1)[C@H](C(=O)OC(C)(C)C)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSB P07858 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ LARS1 Q9P2J5 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ REN P00797 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7819471 0.82 REN (0.47) CTSKCTSLCTSBCTSSREN
SCHEMBL7816008 0.81 CTSK (0.40) CTSKCTSLCTSBCTSSSCN9A
SCHEMBL7830240 0.78 CTSL (0.39) CTSKCTSLCTSBCTSSF2
SCHEMBL7611319 0.77 CTSL (0.45) CTSKCTSLCTSBCTSSF2
SCHEMBL6623377 0.76 CTSL (0.47) CTSKCTSLCTSBCTSSLARS1
SCHEMBL7819470 0.74 CTSL (0.38) CTSKCTSLCTSBCTSSPOLB
SCHEMBL6929841 0.74 REN (0.45) CTSKCTSLCTSBCTSSREN
SCHEMBL27513601 0.73 CTSL (0.42) CTSKCTSLCTSBCTSSLARS1
SCHEMBL7813672 0.73 HSPA5 (0.49) CTSKCTSLCTSBCTSSSCN9A
Trifluoroacetic Acid SCHEMBL7611852 0.73 CTSL (0.45) CTSKCTSLCTSBCTSSLARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO disclosed
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