SCHEMBL8249283

SCHEMBL8249283

CC(C)(C)OC(=O)[C@@H](NC(=O)N[C@H]1CCCCCCCCCC[C@@H](C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TERF2 Q15554 6/20 0.35
▸ BIRC3 Q13489 3/20 0.35
▸ XIAP P98170 2/20 0.35
▸ BIRC2 Q13490 2/20 0.35
▸ HDAC4 P56524 7/20 0.33
▸ HDAC1 Q13547 7/20 0.33
▸ FPR2 P25090 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ HDAC6 Q9UBN7 4/20 0.32

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
SCHEMBL8257249 0.87 PSMB9 (0.31) TERF2HDAC4HDAC1HDAC6
SCHEMBL8053236 0.86 FPR2 (0.33) FPR2
SCHEMBL8291443 0.85 F2 (0.43) TERF2BIRC3XIAPBIRC2HDAC4
SCHEMBL12608361 0.84 CTSV (0.35) —
SCHEMBL8290299 0.84 CTSV (0.35) —
SCHEMBL13685078 0.84 CTSV (0.35) —
SCHEMBL16349811 0.79 F2 (0.42) TERF2BIRC3XIAPBIRC2HDAC4
SCHEMBL16349671 0.78 CTSV (0.33) —
SCHEMBL16349686 0.78 CTSV (0.33) —
SCHEMBL16298069 0.77 — —

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-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — WO disclosed
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