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Sugi Predict / Compounds / SCHEMBL7655849

SCHEMBL7655849

SCHEMBL7655849

CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.46
▸ PSMB5 P28074 1/20 0.39

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
SCHEMBL7665779 0.92 PREP (0.38) CTSDPSMB5
SCHEMBL7656163 0.91 CCR1 (0.44) —
SCHEMBL7664392 0.88 ELANE (0.47) —
SCHEMBL7660638 0.87 CCR1 (0.46) CTSD
SCHEMBL7655898 0.87 ACE2 (0.46) CTSD
SCHEMBL7665223 0.86 CMA1 (0.42) PSMB5
SCHEMBL7668192 0.85 CAPN1 (0.49) CTSD
SCHEMBL7659218 0.84 CMA1 (0.52) —
SCHEMBL7662792 0.83 CA2 (0.40) —
SCHEMBL7661652 0.83 PREP (0.39) CTSDPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 — — US disclosed