SCHEMBL9754027

SCHEMBL9754027

CC1NC(=O)C2CCCN2C(=O)C(CCCCCC(=O)C2CO2)NC(=O)CNC1=O

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.84
HDAC4 P56524 16/20 0.84
HDAC6 Q9UBN7 9/20 0.84
HDAC3 O15379 4/20 0.84
HDAC7 Q8WUI4 4/20 0.84
HDAC2 Q92769 4/20 0.84
HDAC10 Q969S8 4/20 0.84
HDAC11 Q96DB2 4/20 0.84
HDAC8 Q9BY41 4/20 0.84
HDAC9 Q9UKV0 4/20 0.84
HDAC5 Q9UQL6 4/20 0.84

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
SCHEMBL4741062 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL13916999 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL29740175 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL18373232 0.87 HDAC1 (0.78) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL24418494 0.81 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL21863696 0.81 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL29354176 0.81 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
Trapoxin B SCHEMBL12055209 0.76 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
Trapoxin B SCHEMBL16416753 0.76 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7
Trapoxin B SCHEMBL18912063 0.76 HDAC1 (1.00) HDAC1HDAC4HDAC6HDAC3HDAC7

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
WO-1991007430-A1 PEPTIDES CONTAINING CYCLIC TRIPEPTIDES THE UPJOHN COMPANY (US) 1991-05-30 WO disclosed