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Sugi Predict / Compounds / SCHEMBL7796791

SCHEMBL7796791

SCHEMBL7796791

[CH2]C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.67
▸ CTSK P43235 7/20 0.66
▸ CTSB P07858 3/20 0.63
▸ CTSS P25774 2/20 0.62
▸ CAPN1 P07384 2/20 0.60

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
SCHEMBL6828190 0.89 CAPN1 (0.72) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7330463 0.87 CTSL (0.67) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7953394 0.87 CTSK (0.72) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7136272 0.86 CTSL (0.63) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7764593 0.86 CTSL (0.65) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7768345 0.86 CTSL (0.63) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7304278 0.85 CTSL (0.68) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL7304260 0.85 CTSL (0.68) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL25406813 0.85 CTSK (0.77) CTSLCTSKCTSBCTSSCAPN1
SCHEMBL8823918 0.85 CTSK (0.77) CTSLCTSKCTSBCTSSCAPN1

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-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 — — EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO disclosed