SCHEMBL8291503

SCHEMBL8291503

CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ BIRC3 Q13489 3/20 0.37
▸ XIAP P98170 2/20 0.37
▸ BIRC2 Q13490 2/20 0.37
▸ HDAC1 Q13547 8/20 0.36
▸ HDAC4 P56524 7/20 0.36
▸ HDAC6 Q9UBN7 6/20 0.36
▸ GAA P10253 1/20 0.36
▸ TERF2 Q15554 3/20 0.35
▸ PLG P00747 1/20 0.35
▸ HDAC3 O15379 1/20 0.34

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
SCHEMBL16349811 0.88 F2 (0.42) F2F10PRSS1BIRC3XIAP
SCHEMBL12856080 0.87 F2 (0.35) F2F10PRSS1GAAPLG
SCHEMBL8291443 0.87 F2 (0.43) F2F10PRSS1BIRC3XIAP
SCHEMBL13685100 0.82 F2 (0.33) F2F10PRSS1GAAPLG
SCHEMBL12856032 0.81 PPIA (0.38) HDAC1HDAC4GAATERF2
SCHEMBL8291408 0.80 ADAM17 (0.38) BIRC3
SCHEMBL13685619 0.79 TERF2 (0.40) BIRC3XIAPBIRC2TERF2
SCHEMBL13685776 0.78 TERF2 (0.41) BIRC3XIAPBIRC2HDAC1HDAC4
SCHEMBL1645089 0.78 F2 (0.37) F2F10PRSS1BIRC3XIAP
SCHEMBL1655875 0.78 BIRC3 (0.38) F2F10PRSS1BIRC3XIAP

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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