SCHEMBL1645089

SCHEMBL1645089

CCOC(=O)C1CCC=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N2CCCC2C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ HDAC4 P56524 6/20 0.36
▸ HDAC1 Q13547 6/20 0.36
▸ XIAP P98170 2/20 0.35
▸ BIRC3 Q13489 2/20 0.35
▸ BIRC2 Q13490 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ TERF2 Q15554 3/20 0.34
▸ GAA P10253 1/20 0.33
▸ PLG P00747 1/20 0.33

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
SCHEMBL1655875 0.89 BIRC3 (0.38) F2F10PRSS1HDAC4HDAC1
SCHEMBL4295086 0.84 ADRB3 (0.31) F2F10PRSS1GAA
SCHEMBL12343884 0.83 F2 (0.33) F2F10PRSS1GAAPLG
SCHEMBL1685577 0.81 GAA (0.34) MEN1ALDH1A1TSHRKMT2AGAA
SCHEMBL14031132 0.80 GAA (0.35) F2F10PRSS1ALDH1A1GAA
SCHEMBL8054841 0.80 MEN1 (0.31) F2F10PRSS1MEN1ALDH1A1
SCHEMBL6382019 0.79 F2 (0.37) F2F10PRSS1HDAC4HDAC1
SCHEMBL8249384 0.79 F2 (0.37) F2F10PRSS1HDAC4HDAC1
SCHEMBL1683122 0.79 ADRB3 (0.36) F2F10PRSS1XIAPBIRC3
SCHEMBL1645088 0.79 ADRB3 (0.36) F2F10PRSS1XIAPBIRC3

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
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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