SCHEMBL16938901

SCHEMBL16938901

CNC(=O)[C@H]1C/C=C\CCCCC[C@H](CC(=O)N2CCOCC2)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.36
▸ HDAC4 P56524 9/20 0.36
▸ PSMB9 P28065 6/20 0.36
▸ PPIA P62937 2/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ HDAC6 Q9UBN7 6/20 0.35
▸ TERF2 Q15554 1/20 0.34
▸ 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
SCHEMBL16938900 0.93 FAP (0.37) HDAC1HDAC4HDAC6HDAC3
SCHEMBL16938957 0.83 MMP3 (0.42) HDAC1HDAC4PSMB9PPIAPSMB8
SCHEMBL16938906 0.83 HDAC1 (0.36) HDAC1HDAC4HDAC6HDAC3
SCHEMBL16938903 0.75 HDAC1 (0.38) HDAC1HDAC4HDAC6HDAC3
SCHEMBL16938953 0.73 GAA (0.33) HDAC1HDAC4HDAC6
SCHEMBL16938905 0.70 TERF2 (0.35) HDAC1HDAC4HDAC6TERF2
SCHEMBL16938890 0.70 FAP (0.32) HDAC1HDAC4HDAC6
SCHEMBL16938907 0.70 FAP (0.32) HDAC1HDAC4HDAC6
SCHEMBL16938908 0.70 TSHR (0.34) HDAC1HDAC4HDAC6HDAC3
SCHEMBL16938911 0.69 HDAC4 (0.31) HDAC1HDAC4HDAC6

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-2364310-B1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2015-07-29 — — EP disclosed
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