SCHEMBL16938909

SCHEMBL16938909

CNC(=O)[C@@]1(C)CCCCCCCC[C@H](CC(=O)N2CCCCC2)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 9/20 0.36
▸ HDAC1 Q13547 9/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HDAC6 Q9UBN7 5/20 0.35
▸ FAP Q12884 2/20 0.34
▸ DDB1 Q16531 2/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PSMB9 P28065 2/20 0.32
▸ PPIA P62937 2/20 0.32
▸ PSMB8 P28062 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
SCHEMBL16938975 0.84 FAP (0.35) HDAC4HDAC1TSHRHDAC6FAP
SCHEMBL16938953 0.80 GAA (0.33) HDAC4HDAC1TSHRHDAC6FAP
SCHEMBL16938957 0.79 MMP3 (0.42) HDAC4HDAC1HDAC6FAPPSMB9
SCHEMBL16938907 0.79 FAP (0.32) HDAC4HDAC1TSHRHDAC6FAP
SCHEMBL16938890 0.79 FAP (0.32) HDAC4HDAC1TSHRHDAC6FAP
SCHEMBL16938908 0.79 TSHR (0.34) HDAC4HDAC1TSHRHDAC6FAP
SCHEMBL16938911 0.77 HDAC4 (0.31) HDAC4HDAC1TSHRHDAC6
SCHEMBL16938903 0.76 HDAC1 (0.38) HDAC4HDAC1TSHRHDAC6FAP
SCHEMBL16938900 0.73 FAP (0.37) HDAC4HDAC1HDAC6FAP
SCHEMBL16938974 0.71 FAP (0.34) HDAC4HDAC1TSHRHDAC6FAP

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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