SCHEMBL8193266

SCHEMBL8193266

CC(C)(C)OC(=O)N[C@H]1COCCCCCCC[C@H](B2OC3CC4CC(C3O2)C4(C)C)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 3/20 0.34
▸ PSMB9 P28065 7/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TERF2 Q15554 7/20 0.32
▸ CTSD P07339 1/20 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
SCHEMBL13336390 0.84 — —
SCHEMBL13363193 0.84 — —
SCHEMBL8290665 0.75 GAA (0.42) PPIAPSMB9PSMB8GAATERF2
SCHEMBL12856031 0.75 GAA (0.42) PPIAPSMB9PSMB8GAATERF2
SCHEMBL8192216 0.74 FAP (0.41) —
SCHEMBL12856032 0.69 PPIA (0.38) PPIAPSMB9PSMB8GAATERF2
SCHEMBL13336393 0.69 FAP (0.36) —
SCHEMBL13363332 0.69 FAP (0.36) —
SCHEMBL8201674 0.69 FAP (0.36) —
SCHEMBL8289629 0.67 GAA (0.38) GAACTSD

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-2008070733-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2008-06-12 — — WO disclosed
Send feedback