SCHEMBL7377532

SCHEMBL7377532

CC(C)CC(NC(=O)O)C(=O)N(CC(=O)CN(C(=O)OCc1ccccc1)C(=O)[C@@H](N)CC(C)C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CAPN1 P07384 1/20 0.37

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
SCHEMBL7377537 0.81 SLC1A3 (0.37) CTSKMEN1KMT2ALMNA
SCHEMBL10908162 0.79 ANPEP (0.45) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL11660914 0.73 CTSK (0.43) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL724546 0.72 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL27799677 0.71 ANPEP (0.45) CTSKCTSSCTSLCTSBMEN1
SCHEMBL27473269 0.71 ANPEP (0.45) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7615037 0.71 CTSK (0.37) CTSKCTSSCTSLCTSBMEN1
SCHEMBL10906079 0.71 ANPEP (0.47) MEN1KMT2ALMNA
SCHEMBL11432342 0.70 CTSK (0.61) CTSKCTSSCTSLCTSBMEN1
SCHEMBL7611741 0.70 ANPEP (0.39) CTSKCTSSCTSLCTSBALDH1A1

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-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP claimed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP claimed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 — — WO claimed
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