SCHEMBL1655875

SCHEMBL1655875

CC(C)(C)OC(=O)NC1CCCCCC=CCCC(C(=O)O)NC(=O)C2CCCN2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BIRC3 Q13489 3/20 0.38
▸ XIAP P98170 2/20 0.38
▸ BIRC2 Q13490 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ HDAC4 P56524 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ ITGB1 P05556 3/20 0.36
▸ ITGA4 P13612 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ TERF2 Q15554 2/20 0.35
▸ PPIA P62937 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL1645089 0.89 F2 (0.37) BIRC3XIAPBIRC2F2F10
SCHEMBL6382019 0.85 F2 (0.37) BIRC3XIAPBIRC2F2F10
SCHEMBL8249384 0.85 F2 (0.37) BIRC3XIAPBIRC2F2F10
SCHEMBL8220355 0.83 BIRC3 (0.37) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL16349811 0.82 F2 (0.42) BIRC3XIAPBIRC2F2F10
SCHEMBL8019153 0.82 GAA (0.35) F2F10PRSS1ITGB1ITGA4
SCHEMBL8291443 0.81 F2 (0.43) BIRC3XIAPBIRC2F2F10
SCHEMBL14031132 0.80 GAA (0.35) F2F10PRSS1GAA
SCHEMBL5611990 0.80 RAMP1 (0.34) —
SCHEMBL1645862 0.79 ADRB3 (0.42) BIRC3XIAPBIRC2F2F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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