SCHEMBL8053236

SCHEMBL8053236

CC(C)[C@H]1CCN2C(=O)[C@@H](NC(=O)NC(C(=O)OC(C)(C)C)C(C)(C)C)CCCCCCCCCC[C@@H](C(=O)C(N)=O)NC(=O)C12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 3/20 0.33
▸ MMP3 P08254 1/20 0.30
▸ ADAM17 P78536 1/20 0.30

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
SCHEMBL8249283 0.86 TERF2 (0.35) FPR2
SCHEMBL12608361 0.83 CTSV (0.35) —
SCHEMBL13685078 0.83 CTSV (0.35) —
SCHEMBL8290299 0.83 CTSV (0.35) —
SCHEMBL16349686 0.78 CTSV (0.33) —
SCHEMBL16349671 0.78 CTSV (0.33) —
SCHEMBL8257249 0.75 PSMB9 (0.31) —
SCHEMBL13685337 0.74 CTSV (0.34) —
SCHEMBL13685005 0.74 CTSV (0.34) —
SCHEMBL13685690 0.72 CTSV (0.35) —

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-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 — — WO disclosed
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