SCHEMBL4552253

SCHEMBL4552253

CCCCN(C(=O)O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNCCP(C)(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.55

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
SCHEMBL2206504 0.83 HDAC1 (0.55) HDAC1
SCHEMBL4325464 0.79 HDAC1 (0.60) HDAC1
SCHEMBL4720338 0.76 KCNQ3 (0.47) HDAC1
SCHEMBL12434721 0.74 HDAC1 (0.62) HDAC1
SCHEMBL3646097 0.71 HDAC1 (1.00) HDAC1
SCHEMBL4322107 0.71 HDAC1 (0.70) HDAC1
SCHEMBL3644778 0.70 HDAC1 (1.00) HDAC1
SCHEMBL2208872 0.69 HDAC1 (0.66) HDAC1
SCHEMBL3638632 0.68 HDAC1 (1.00) HDAC1
SCHEMBL1931064 0.68 HDAC1 (0.54) HDAC1

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-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO disclosed