SCHEMBL16689629

SCHEMBL16689629

COc1ccc(O[C@@H]2OC(COC(=O)c3ccccc3)[C@H](O)C(OC(=O)c3ccccc3)[C@@H]2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ PTPN1 P18031 4/20 0.47
▸ LGALS9 O00182 2/20 0.47
▸ LGALS1 P09382 2/20 0.47
▸ LGALS3 P17931 2/20 0.47
▸ LGALS7; LGALS7B P47929 2/20 0.47
▸ LGALS8 O00214 4/20 0.45
▸ SLC5A1 P13866 2/20 0.45
▸ SLC5A2 P31639 2/20 0.45
▸ GAPDH P04406 1/20 0.45
▸ HRAS P01112 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TYMP P19971 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 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
SCHEMBL16673452 1.00 TDP1 (0.49) TDP1PTPN1LGALS9LGALS1LGALS3
SCHEMBL18022557 1.00 TDP1 (0.49) TDP1PTPN1LGALS9LGALS1LGALS3
SCHEMBL16673453 1.00 TDP1 (0.49) TDP1PTPN1LGALS9LGALS1LGALS3
SCHEMBL17766500 0.94 GAPDH (0.49) TDP1PTPN1LGALS9LGALS1LGALS3
SCHEMBL21045068 0.94 PTPN1 (0.49) TDP1PTPN1LGALS9LGALS1LGALS3
SCHEMBL7150482 0.87 LGALS8 (0.53) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL12870306 0.86 GAPDH (0.47) TDP1PTPN1GAPDHHRASCYP3A4
SCHEMBL24192986 0.82 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL19869143 0.82 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14413230 0.82 LGALS3 (0.52) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B

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
WO-2015063173-A1 A METHOD FOR LABELING SPECIFICALLY LIVING BACTERIA COMPRISING THE USE OF MODIFIED MONOSACCHARIDE COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-05-07 — — WO disclosed
EP-2868750-A1 A method for labeling specifically living bacteria comprising the use of modified monosaccharide compounds Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2015-05-06 — — EP disclosed
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