SCHEMBL16938908

SCHEMBL16938908

CC1(C(=O)O)C/C=C\CCCCC[C@H](CC(=O)N2CCCCC2)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ HDAC1 Q13547 12/20 0.33
▸ HDAC4 P56524 12/20 0.33
▸ FAP Q12884 2/20 0.33
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HDAC6 Q9UBN7 6/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC9 Q9UKV0 1/20 0.30
▸ HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL16938911 0.87 HDAC4 (0.31) TSHRHDAC1HDAC4HDAC6
SCHEMBL16938953 0.83 GAA (0.33) TSHRHDAC1HDAC4FAPHDAC6
SCHEMBL16938974 0.81 FAP (0.34) TSHRHDAC1HDAC4FAPDDB1
SCHEMBL16938909 0.79 HDAC4 (0.36) TSHRHDAC1HDAC4FAPDDB1
SCHEMBL13340505 0.78 FAP (0.33) TSHRHDAC1HDAC4FAP
SCHEMBL16938907 0.77 FAP (0.32) TSHRHDAC1HDAC4FAPHDAC6
SCHEMBL16938890 0.77 FAP (0.32) TSHRHDAC1HDAC4FAPHDAC6
SCHEMBL16938900 0.76 FAP (0.37) HDAC1HDAC4FAPHDAC6HDAC3
SCHEMBL16938902 0.76 HDAC4 (0.32) TSHRHDAC1HDAC4FAPDDB1
SCHEMBL16938975 0.73 FAP (0.35) TSHRHDAC1HDAC4FAPDDB1

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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