SCHEMBL4614538

SCHEMBL4614538

COc1cc(NCCCS(=O)(=O)O)cc(OC)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.37
ENPP1 P22413 2/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
STAT3 P40763 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR4 Q13639 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL21899385 0.84 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL244918 0.81 KMT2A (0.42) SLC2A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21899374 0.81 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL27677191 0.80 KMT2A (0.41) SLC2A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL24277604 0.79 ENPP1 (0.38) SLC2A1ENPP1MEN1KMT2ALMNA
Water SCHEMBL20853621 0.79 KMT2A (0.41) SLC2A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5587045 0.78 KMT2A (0.42) SLC2A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2111043 0.77 MTNR1A (0.39) SLC2A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1823998 0.76 THRB (0.44) SMN1; SMN2HTT
SCHEMBL4612346 0.75 SLC2A1 (0.36) SLC2A1PTGESALOX5PTGS1STAT3

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-1148142-B1 METHOD FOR QUANTITATING TRIGLYCERIDE IN LIPOPROTEIN KYOWA MEDEX CO LTD (JP) 2008-02-27 EP disclosed
US-20050042703-A1 Method for quantitating triglycerides in lipoproteins KYOWA MEDEX CO., LTD. (JP) 2005-02-24 US disclosed
US-6811994-B1 COMPRISES ELIMINATING FREE GLYCEROL FROM A SAMPLE THEN ALLOWING IT TO REACT WITH LIPOPROTEIN LIPASE WHICH GENERATES HYDROGEN PEROXIDE; USED TO DETECT ARTERIOSCLEROSIS KYOWA MEDEX CO., LTD. (JP) 2004-11-02 US disclosed
EP-1148142-A1 METHOD FOR QUANTITATING TRIGLYCERIDE IN LIPOPROTEIN KYOWA MEDEX CO., LTD. (JP) 2001-10-24 EP disclosed