SCHEMBL16938902

SCHEMBL16938902

CCOC(=O)C12CC1/C=C\CCCCC[C@@H](CC(=O)N1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ FAP Q12884 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 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
SCHEMBL16639051 0.92 — —
SCHEMBL16938974 0.88 FAP (0.34) HDAC4HDAC1FAPTSHRDDB1
SCHEMBL16639055 0.88 L3MBTL1 (0.36) POLB
SCHEMBL16938907 0.87 FAP (0.32) HDAC4HDAC1FAPTSHR
SCHEMBL16938890 0.87 FAP (0.32) HDAC4HDAC1FAPTSHR
SCHEMBL13340505 0.87 FAP (0.33) HDAC4HDAC1FAPTSHR
SCHEMBL11975940 0.86 HDAC4 (0.33) HDAC4HDAC1POLBTSHRMEN1
SCHEMBL8249373 0.85 DPP4 (0.37) HDAC4HDAC1POLBMEN1KMT2A
SCHEMBL13340502 0.82 FAP (0.32) FAP
SCHEMBL16938889 0.82 CTSB (0.40) HDAC4HDAC1FAP

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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