SCHEMBL7914476

SCHEMBL7914476

O=C1NC2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2CCCC12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.38
▸ PSMB9 P28065 9/20 0.31
▸ PSMB8 P28062 3/20 0.31

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
SCHEMBL15509453 1.00 CTSB (0.41) CTSBCTSSPSMB9PSMB8
SCHEMBL15509452 1.00 CTSB (0.41) CTSBCTSSPSMB9PSMB8
SCHEMBL15509451 1.00 CTSB (0.41) CTSBCTSSPSMB9PSMB8
SCHEMBL8249221 1.00 CTSB (0.41) CTSBCTSSPSMB9PSMB8
SCHEMBL13502758 0.89 CTSB (0.40) CTSBCTSS
SCHEMBL8246800 0.88 CTSB (0.34) CTSBCTSSPSMB9PSMB8
SCHEMBL11976284 0.88 CTSB (0.42) CTSBCTSS
SCHEMBL11976283 0.88 CTSB (0.41) CTSBCTSS
SCHEMBL13082504 0.88 CTSB (0.42) CTSBCTSS
Hydrochloric Acid SCHEMBL4522873 0.87 CTSB (0.41) CTSBCTSS

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-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 — — WO disclosed
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