SCHEMBL7597560

SCHEMBL7597560

CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](O)[C@H]2OC(C)=O)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.52
NT5E P21589 1/20 0.50
PTPN1 P18031 7/20 0.49
PTPN2 P17706 3/20 0.49
PTPN11 Q06124 3/20 0.49
TACR2 P21452 2/20 0.47
CDC25B P30305 5/20 0.45
GJA1 P17302 3/20 0.45
PTPN6 P29350 2/20 0.44

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
SCHEMBL4925030 0.93 PTPN1 (0.51) GJB2NT5EPTPN1PTPN2PTPN11
SCHEMBL7079632 0.91 NT5E (0.52) GJB2NT5EPTPN1PTPN2PTPN11
SCHEMBL7593999 0.88 PTPN1 (0.46) GJB2NT5EPTPN1PTPN2PTPN11
SCHEMBL22677759 0.87 NT5E (0.48) GJB2NT5EPTPN1PTPN2PTPN11
SCHEMBL5198380 0.85 TACR2 (0.51) GJB2NT5EPTPN1PTPN2PTPN11
SCHEMBL5198375 0.85 TACR2 (0.51) GJB2NT5EPTPN1PTPN2PTPN11
SCHEMBL24371822 0.85 NT5E (0.60) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL5476248 0.85 NT5E (0.57) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL14414816 0.85 NT5E (0.57) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL5470888 0.85 NT5E (0.57) NT5EPTPN1PTPN2PTPN11TACR2

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-1252171-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR S.A. (FR) 2002-10-30 EP disclosed
WO-2001057053-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR (FR) 2001-08-09 WO disclosed