SCHEMBL4339833

SCHEMBL4339833

COc1cc(OC)cc(N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CNR2 P34972 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
PLA2G2A P14555 1/20 0.33
BLM P54132 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HPGD P15428 1/20 0.32
ESR1 P03372 1/20 0.32

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 0.95 MTNR1A (0.40) MTNR1AMTNR1BSLC16A3SLC16A1ALDH1A1
SCHEMBL244699 0.88 MAPT (0.37) MTNR1AMTNR1BALDH1A1MAOAMAOB
SCHEMBL5526466 0.87 MAPT (0.36) MTNR1AMTNR1BALDH1A1MAOAMAOB
SCHEMBL5529306 0.87 MAPT (0.36) MTNR1AMTNR1BALDH1A1MAOAMAOB
SCHEMBL5529309 0.85 MAPT (0.36) MTNR1AMTNR1BALDH1A1MAOAMAOB
SCHEMBL12271908 0.85 MTNR1B (0.60) MTNR1AMTNR1BALDH1A1ESR1
Water SCHEMBL20853627 0.85 MAPT (0.36) MTNR1AMTNR1BSLC16A3SLC16A1ALDH1A1
SCHEMBL2764550 0.85 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL20853803 0.81 MAPT (0.43) MTNR1AMTNR1BALDH1A1CNR2ESR1
SCHEMBL25118360 0.81 MTNR1B (0.57) MTNR1AMTNR1BALDH1A1ESR1

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-7625760-B2 Analyzing cartridge and liquid feed control device ASAHI KASEI KABUSHIKI KAISHA (JP) 2009-12-01 US disclosed
US-7105354-B1 Analyzer ASAHI KASEI KABUSHIKI KAISHA (JP) 2006-09-12 US disclosed
US-20050148091-A1 Analyzing cartridge and liquid feed control device ASAHI KASEI KABUSHIKI KAISHA 2005-07-07 US disclosed
EP-1087223-A1 ANALYZER Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2001-03-28 EP disclosed