Sugi Predict

Sugi Predict / Compounds / SCHEMBL7327030

SCHEMBL7327030

SCHEMBL7327030

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 8/20 0.61
▸ REN P00797 2/20 0.61
▸ BACE1 P56817 5/20 0.52

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
SCHEMBL7328595 0.96 CTSD (0.65) CTSDRENBACE1
SCHEMBL7321482 0.92 CTSD (0.65) CTSDRENBACE1
SCHEMBL7324774 0.90 CTSD (0.61) CTSDRENBACE1
SCHEMBL7321442 0.87 CTSD (0.69) CTSDREN
SCHEMBL7329323 0.87 CTSD (0.69) CTSDREN
SCHEMBL7332555 0.87 CTSD (0.58) CTSDRENBACE1
SCHEMBL7320103 0.86 CTSD (0.59) CTSDREN
SCHEMBL7326624 0.85 CTSD (0.47) CTSDRENBACE1
SCHEMBL7326637 0.85 CTSD (0.47) CTSDRENBACE1
SCHEMBL7328968 0.84 CTSD (0.54) CTSDRENBACE1

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed