SCHEMBL4759679

SCHEMBL4759679

CCP(=O)(O)CCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
PAOX Q6QHF9 3/20 0.47
MMP2 P08253 3/20 0.42
ADRA1A P35348 1/20 0.42
MMP1 P03956 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LPAR1 Q92633 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
S1PR2 O95136 4/20 0.36
S1PR4 O95977 4/20 0.36

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
SCHEMBL7920076 0.81 KDM4E (0.58) KDM4EMAPK1HIF1APAOXMMP2
SCHEMBL14029178 0.77 KDM4E (0.54) KDM4EMAPK1HIF1APAOXMMP2
SCHEMBL9471815 0.77 KDM4E (0.58) KDM4EMAPK1HIF1APAOXMMP2
SCHEMBL17753882 0.75 KDM4E (0.62) KDM4EMAPK1HIF1APAOXMMP2
SCHEMBL11429786 0.75 GABBR2 (0.71) KDM4EMAPK1GABBR2GABBR1MMP2
SCHEMBL11699849 0.73 CA12 (0.50) KDM4EMAPK1HIF1APAOXMMP2
SCHEMBL11593686 0.73 GABBR2 (0.68) GABBR2GABBR1
SCHEMBL860791 0.72 KDM4E (0.94) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1900471 0.72 KDM4E (0.82) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL11699853 0.72 KDM4E (0.42) KDM4EMAPK1HIF1APAOXMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4156795-B2 2008-09-24 JP claimed
JP-2002501040-A 2002-01-15 JP claimed
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP claimed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO claimed
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
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP disclosed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO disclosed