SCHEMBL5281293

SCHEMBL5281293

COc1ccc2[nH]c(C)c(CC(=O)NC(CCCCCC(=O)O)c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1

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 0.89
HDAC2 Q92769 5/20 0.89
HDAC6 Q9UBN7 4/20 0.89
HDAC4 P56524 3/20 0.87
HDAC7 Q8WUI4 2/20 0.87
HDAC10 Q969S8 2/20 0.87
HDAC11 Q96DB2 2/20 0.87
HDAC8 Q9BY41 2/20 0.87
HDAC9 Q9UKV0 2/20 0.87
HDAC5 Q9UQL6 2/20 0.87

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
SCHEMBL2071378 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Trifluoroacetic Acid SCHEMBL2071251 0.96 HDAC1 (0.92) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15514359 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL17183277 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15707512 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL17183259 0.94 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15513562 0.93 HDAC1 (0.90) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15512735 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15512717 0.93 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15512527 0.92 HDAC1 (0.85) HDAC1HDAC3HDAC2HDAC6HDAC4

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-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed