SCHEMBL15512779

SCHEMBL15512779

CCCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC3 O15379 5/20 1.00
HDAC6 Q9UBN7 5/20 1.00
HDAC2 Q92769 3/20 0.84
HDAC4 P56524 1/20 0.78
HDAC7 Q8WUI4 1/20 0.78
HDAC10 Q969S8 1/20 0.78
HDAC11 Q96DB2 1/20 0.78
HDAC8 Q9BY41 1/20 0.78
HDAC9 Q9UKV0 1/20 0.78
HDAC5 Q9UQL6 1/20 0.78

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
SCHEMBL15513381 0.97 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
Trifluoroacetic Acid SCHEMBL2070939 0.95 HDAC1 (0.90) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL27701517 0.95 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15513542 0.95 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
Trifluoroacetic Acid SCHEMBL2073203 0.92 HDAC1 (0.90) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15513574 0.92 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15512846 0.92 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15707167 0.92 HDAC1 (0.88) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL17183357 0.90 HDAC1 (0.85) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL17183354 0.90 HDAC1 (0.85) HDAC1HDAC3HDAC6HDAC2HDAC4

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-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP claimed