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Sugi Predict / Compounds / SCHEMBL10555284

SCHEMBL10555284

SCHEMBL10555284

CCOC(=O)N1CC[CH]CC1C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)[C@@H](C)CC

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 9/20 0.49
▸ CTSK P43235 9/20 0.49
▸ REN P00797 9/20 0.46
▸ CTSD P07339 2/20 0.41

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
SCHEMBL11035604 0.95 REN (0.42) CTSBCTSKREN
SCHEMBL10908290 0.81 CTSK (0.52) CTSBCTSKRENCTSD
SCHEMBL10909792 0.81 CTSB (0.55) CTSBCTSKRENCTSD
SCHEMBL10907853 0.80 CTSB (0.54) CTSBCTSKRENCTSD
SCHEMBL10909548 0.79 CTSB (0.53) CTSBCTSKRENCTSD
SCHEMBL10908701 0.78 CTSB (0.57) CTSBCTSKREN
SCHEMBL10908030 0.78 CTSB (0.52) CTSBCTSKRENCTSD
SCHEMBL10908049 0.77 CTSK (0.49) CTSBCTSKREN
SCHEMBL10908060 0.76 CTSK (0.51) CTSBCTSKREN
SCHEMBL10905777 0.76 CTSK (0.49) CTSBCTSKREN

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
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
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