SCHEMBL6382019

SCHEMBL6382019

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ XIAP P98170 2/20 0.36
▸ BIRC3 Q13489 2/20 0.36
▸ BIRC2 Q13490 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ HDAC4 P56524 9/20 0.34
▸ HDAC1 Q13547 9/20 0.34
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ HDAC6 Q9UBN7 4/20 0.32
▸ FPR2 P25090 1/20 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
SCHEMBL8249384 1.00 F2 (0.37) F2F10PRSS1XIAPBIRC3
SCHEMBL1655875 0.85 BIRC3 (0.38) F2F10PRSS1XIAPBIRC3
SCHEMBL8239491 0.84 BACE1 (0.33) F2F10PRSS1GAA
SCHEMBL19869647 0.84 HDAC4 (0.38) XIAPBIRC3BIRC2GAAHDAC4
SCHEMBL7919172 0.82 BIRC3 (0.39) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL13886148 0.80 REN (0.33) —
SCHEMBL8278256 0.80 REN (0.33) —
SCHEMBL8378473 0.80 ADRB3 (0.42) F2F10PRSS1XIAPBIRC3
SCHEMBL1645865 0.80 ADRB3 (0.42) F2F10PRSS1XIAPBIRC3
SCHEMBL7999967 0.80 ADRB3 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033654-B1 Process for resolving a mixture of alkyl ester enantiomers using an enzyme BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
EP-2086980-B1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-12-22 — — EP disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — WO disclosed
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