SCHEMBL6570646

SCHEMBL6570646

O=C(NCCCS(=O)(=O)O)c1ccccc1.[CaH2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
HDAC6 Q9UBN7 4/20 0.61
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
NAAA Q02083 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2168052 0.98 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL2169842 0.97 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL6572367 0.97 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5709109 0.88 L3MBTL1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL13943496 0.87 SMN1; SMN2 (0.63) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8779817 0.86 HDAC1 (0.79) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL28561046 0.84 NAAA (0.55) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9492235 0.84 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7460068 0.84 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9188890 0.84 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 US claimed
CN-1182837-C Orally administrable immediate and prolonged-release Galenic form comprising absorption-promoting agent and use of this absorption-promoting agent Ĭ��ר���ɷ����޹�˾ 2005-01-05 CN disclosed
EP-1056445-B1 ORALLY ADMINISTRABLE IMMEDIATE-RELEASE AND PROLONGED-RELEASE GALENIC FORM COMPRISING AN ABSORPTION-PROMOTING AGENT AND USE OF THIS ABSORPTION-PROMOTING AGENT MERCK PATENT GMBH (DE) 2004-06-02 EP disclosed
EP-1410791-A1 Orally administrable galenic form comprising metformine and an absorption-promoting agent MERCK PATENT GmbH (DE) 2004-04-21 EP disclosed
US-6514524-B1 Improved absorption of hydrophilic ingredients because of particular excipients; calcium 3-acetylamino-1-propane sulfonate (calcium acamprosate); polysorbates, fatty ethers or esters of PEG, polyglycolysed glycerides MERCK PATENTGESELLSCHAFT MIT (DE) 2003-02-04 US disclosed
US-6426087-B1 GALENIC FORMS; SUSTAINED RELEASE MERCK PATENT GESELLSCHAFT MIT (DE) 2002-07-30 US disclosed
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 US disclosed