SCHEMBL6572031

SCHEMBL6572031

CC(=O)NCC(C(C)C)S(=O)(=O)O.[CaH2]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PAOX Q6QHF9 3/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
TSHR P16473 1/20 0.30
ADAMTS4 O75173 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL14375749 0.77 KDM4E (0.41) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL6572287 0.72 KDM4E (0.37) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL14181402 0.71 KDM4E (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL28477281 0.71 KDM4E (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL17285667 0.71 KDM4E (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL28466394 0.71 KDM4E (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL4760786 0.69 KDM4E (0.38) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL10359470 0.69 MTNR1A (0.41) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL8433355 0.69 MTNR1A (0.41) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL6573142 0.68 KDM4E (0.46) MTNR1AMTNR1BKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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