SCHEMBL7744292

SCHEMBL7744292

O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.61
LGALS9 O00182 6/20 0.61
LGALS1 P09382 6/20 0.61
LGALS7; LGALS7B P47929 5/20 0.61
LGALS8 O00214 3/20 0.46
SELP P16109 4/20 0.43
HK1 P19367 2/20 0.41
HK2 P52789 2/20 0.41
SELE P16581 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
PTPN1 P18031 1/20 0.41
RNASE1 P07998 1/20 0.40
LGALS4 P56470 1/20 0.40

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
SCHEMBL715284 1.00 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL715283 1.00 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL8574803 0.98 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL2486267 0.98 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL8575918 0.98 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL8575922 0.98 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL8602850 0.98 LGALS3 (0.60) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL13211174 0.91 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL26102195 0.91 LGALS3 (0.70) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL10802114 0.90 LGALS3 (0.64) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed