SCHEMBL9069748

SCHEMBL9069748

CC(CC=O)CC(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
ECE1 P42892 3/20 0.36
FOLH1 Q04609 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MMP2 P08253 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
SCHEMBL8294531 0.83 CHRNB2 (0.32)
SCHEMBL7303192 0.77
SCHEMBL1262306 0.75
SCHEMBL1648380 0.75
SCHEMBL17911636 0.75
SCHEMBL12820107 0.74 TSHR (0.39) MMP2MMP9ALDH1A1
SCHEMBL119899 0.74 TSHR (0.39) MMP2MMP9ALDH1A1
SCHEMBL7303693 0.73
SCHEMBL17747533 0.73
SCHEMBL7361144 0.73

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
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US claimed