SCHEMBL4136828

SCHEMBL4136828

CCN(CCCS(=O)(=O)O)c1cccc(OC)c1.CCN(CCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.48
MTNR1B P49286 9/20 0.48
ESR1 P03372 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL6393658 0.98 MTNR1A (0.49) MTNR1AMTNR1BESR1MAPTTP53
SCHEMBL245816 0.96 MTNR1A (0.51) MTNR1AMTNR1BESR1MAPTTP53
Water SCHEMBL28663040 0.95 MTNR1A (0.50) MTNR1AMTNR1BESR1MAPTTP53
SCHEMBL309045 0.95 MTNR1A (0.50) MTNR1AMTNR1BESR1MAPTTP53
SCHEMBL17685579 0.95 ESR1 (0.51) MTNR1AMTNR1BESR1MAPTTP53
Water SCHEMBL20853630 0.94 MTNR1A (0.49) MTNR1AMTNR1BESR1MAPTTP53
SCHEMBL5522288 0.94 MTNR1A (0.49) MTNR1AMTNR1BESR1MAPTTP53
SCHEMBL20853803 0.91 MAPT (0.43) MTNR1AMTNR1BESR1MAPTTP53
SCHEMBL25118360 0.90 MTNR1B (0.57) MTNR1AMTNR1BESR1ALDH1A1ALOX15
SCHEMBL30060301 0.90 MTNR1B (0.57) MTNR1AMTNR1BESR1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226944-A1 METHOD FOR MEASURING TRIGLYCERIDE IN LOW-DENSITY LIPOPROTEIN AND KIT FOR MEASUREMENT KYOWA MEDEX CO., LTD. (JP) 2009-09-10 US disclosed
EP-1953240-A1 METHOD FOR MEASURING TRIGLYCERIDE IN LOW-DENSITY LIPOPROTEIN AND KIT FOR MEASUREMENT Kyowa Medex Co., Ltd. (JP) 2008-08-06 EP disclosed