SCHEMBL7082083

SCHEMBL7082083

CCCOO[C@@H]1[C@H](O)[C@@H](O)[C@@](O)(c2cccc3ccccc23)O[C@@H]1CO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 3/20 0.34
LGALS3 P17931 3/20 0.34
LGALS7; LGALS7B P47929 3/20 0.34
LGALS9 O00182 2/20 0.34
LGALS8 O00214 1/20 0.34
CD209 Q9NNX6 1/20 0.33
PYGL P06737 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 2/20 0.30
SLC6A4 P31645 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
SCHEMBL7087255 0.87 LGALS9 (0.33) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL7088201 0.86 LGALS1 (0.36) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL7082131 0.85 LGALS8 (0.34) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL7082196 0.83 CD209 (0.35) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL7082465 0.82 LGALS8 (0.38) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL4608471 0.80 PYGL (0.40) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL6839290 0.80 PYGL (0.40) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL6839294 0.80 PYGL (0.40) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL4608468 0.80 PYGL (0.40) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8
SCHEMBL7088303 0.79 LGALS9 (0.33) LGALS1LGALS3LGALS7; LGALS7BLGALS9LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260428-A Agent for the detection of substances with hydrolase activity BOEHRINGER MANNHEIM GMBH (DE) 1993-11-09 US claimed
US-20030017519-A1 Electrochemical enzyme assay BROWN MARY E (US) 2003-01-23 US disclosed
US-6110696-A KIT FOR THE DETECTION OF A COMPOUND IN A FLUID ROCHE DIAGNOSTICS CORPORATION (US) 2000-08-29 US disclosed
EP-0350808-B1 Method for detecting substances with hydrolase activity BOEHRINGER MANNHEIM GMBH (DE) 1995-11-08 EP disclosed
US-5260428-A Agent for the detection of substances with hydrolase activity BOEHRINGER MANNHEIM GMBH (DE) 1993-11-09 US disclosed
US-5202233-A Process for the detection of substances with hydrolase activity BOEHRINGER MANNHEIM GMBH (DE) 1993-04-13 US disclosed
EP-0350808-A2 Method for detecting substances with hydrolase activity Roche Diagnostics GmbH (DE) 1990-01-17 EP disclosed