SCHEMBL1937243

SCHEMBL1937243

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@](SCCCCC)(c2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 3/20 0.36
CTSK P43235 4/20 0.35
HDAC4 P56524 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL1490123 0.98 HDAC1 (0.36) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL1490120 0.98 HDAC1 (0.36) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL1490122 0.98 HDAC1 (0.36) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL2541221 0.93 HDAC1 (0.37) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL1487490 0.93 HDAC1 (0.37) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL2543519 0.92 HDAC1 (0.38) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL2537720 0.92 HDAC1 (0.38) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL1937063 0.92 HDAC1 (0.38) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL2537724 0.92 HDAC1 (0.38) HDAC1HDAC8CTSKHDAC4HDAC3
SCHEMBL2537722 0.92 HDAC1 (0.38) HDAC1HDAC8CTSKHDAC4HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331553-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036896-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed