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Sugi Predict / Compounds / SCHEMBL883203

SCHEMBL883203

SCHEMBL883203

CCOC(=O)[C@H]1C[C@H]1/C=C\CCCCC[C@H](N)C(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)[C@@H](C)[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.35

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
SCHEMBL883200 0.94 CTSS (0.35) CTSS
SCHEMBL882939 0.90 CTSS (0.43) CTSS
SCHEMBL10273149 0.89 CTSS (0.37) CTSS
SCHEMBL10273144 0.81 CTSS (0.39) CTSS
SCHEMBL883365 0.81 CTSS (0.39) CTSS
SCHEMBL882935 0.77 CTSS (0.39) CTSS
SCHEMBL883058 0.76 CTSS (0.38) CTSS
SCHEMBL882937 0.75 CTSS (0.38) CTSS
SCHEMBL10273803 0.74 CTSS (0.37) CTSS
SCHEMBL17212967 0.73 CTSS (0.40) CTSS

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
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 — — WO disclosed