SCHEMBL8257249

SCHEMBL8257249

CC(C)(C)OC(=O)[C@@H](NC(=O)N[C@@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)C(N)=O)CCCCCCCCCC1(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 5/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ TERF2 Q15554 3/20 0.31
▸ HDAC4 P56524 6/20 0.30
▸ HDAC1 Q13547 6/20 0.30
▸ HDAC6 Q9UBN7 4/20 0.30
▸ PPIA P62937 2/20 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
SCHEMBL16298069 0.90 — —
SCHEMBL8249283 0.87 TERF2 (0.35) TERF2HDAC4HDAC1HDAC6
SCHEMBL13685005 0.86 CTSV (0.34) —
SCHEMBL13685337 0.86 CTSV (0.34) —
SCHEMBL16349620 0.81 CTSV (0.32) —
SCHEMBL8290299 0.75 CTSV (0.35) —
SCHEMBL12608361 0.75 CTSV (0.35) —
SCHEMBL13685078 0.75 CTSV (0.35) —
SCHEMBL8053236 0.75 FPR2 (0.33) —
SCHEMBL8291443 0.74 F2 (0.43) TERF2HDAC4HDAC1HDAC6

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
Send feedback