SCHEMBL2764550

SCHEMBL2764550

COc1cc(OC)cc(N(CCCS(=O)(=O)O)CCC(S(=O)(=O)O)S(=O)(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL241158 0.89 MTNR1A (0.40) MTNR1AMTNR1BFGFR1FGFR2FGFR4
SCHEMBL4339833 0.85 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL244699 0.82 MAPT (0.37) MTNR1AMTNR1B
SCHEMBL5529306 0.81 MAPT (0.36) MTNR1AMTNR1B
SCHEMBL5526466 0.81 MAPT (0.36) MTNR1AMTNR1B
SCHEMBL5529309 0.80 MAPT (0.36) MTNR1AMTNR1B
Water SCHEMBL20853627 0.80 MAPT (0.36) MTNR1AMTNR1B
SCHEMBL20853803 0.76 MAPT (0.43) MTNR1AMTNR1B
SCHEMBL25118360 0.76 MTNR1B (0.57) MTNR1AMTNR1B
SCHEMBL30060301 0.76 MTNR1B (0.57) MTNR1AMTNR1B

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
US-7799537-B2 Cholesterol measuring reagent containing a cholesterol esterase OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
EP-1818412-B1 METHOD OF MEASURING CHOLESTEROL IN REMNANT-LIKE LIPOPROTEINS OTSUKA PHARMA CO LTD (JP) 2010-04-14 EP disclosed
US-20080268461-A1 Using lipoprotein lipase to cholesterol esterase ratios as evaluative tools in diagnosis/prognosis of arteriosclerosis JIMRO CO., LTD. (JP) 2008-10-30 US disclosed
EP-1818412-A1 METHOD OF MEASURING CHOLESTEROL IN REMNANT-LIKE LIPOPROTEINS Jimro Co., Ltd. (JP) 2007-08-15 EP disclosed