SCHEMBL7919172

SCHEMBL7919172

CC(C)N(C)C(=O)N[C@H]1CCCCC/C=C\[C@H]2CC2NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BIRC3 Q13489 5/20 0.39
▸ XIAP P98170 2/20 0.39
▸ BIRC2 Q13490 2/20 0.39
▸ TERF2 Q15554 7/20 0.36
▸ HDAC4 P56524 6/20 0.35
▸ HDAC1 Q13547 6/20 0.35
▸ KLK7 P49862 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31

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 0.82 F2 (0.37) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL6382019 0.82 F2 (0.37) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL19869647 0.82 HDAC4 (0.38) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL19870556 0.77 BIRC3 (0.36) BIRC3XIAPBIRC2TERF2HDAC4
SCHEMBL8244703 0.77 HDAC4 (0.42) HDAC4HDAC1HDAC6
SCHEMBL16258958 0.72 OPRM1 (0.34) HDAC4HDAC1
SCHEMBL8239491 0.72 BACE1 (0.33) —
SCHEMBL13435807 0.69 — —
SCHEMBL1655875 0.67 BIRC3 (0.38) BIRC3XIAPBIRC2TERF2HDAC4
SCHEMBL12820532 0.67 MEN1 (0.36) BIRC3XIAPBIRC2TERF2HDAC4

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-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 — — WO disclosed
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