SCHEMBL7079632

SCHEMBL7079632

CC(=O)O[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.52
GJB2 P29033 1/20 0.51
PTPN1 P18031 8/20 0.51
CDC25B P30305 8/20 0.51
TACR2 P21452 3/20 0.50
PTPN2 P17706 4/20 0.49
PTPN6 P29350 4/20 0.49
PTPN11 Q06124 4/20 0.49
LMNA P02545 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5476248 0.92 NT5E (0.57) NT5EPTPN1CDC25BTACR2PTPN2
SCHEMBL5470888 0.92 NT5E (0.57) NT5EPTPN1CDC25BTACR2PTPN2
SCHEMBL14414816 0.92 NT5E (0.57) NT5EPTPN1CDC25BTACR2PTPN2
SCHEMBL22677759 0.91 NT5E (0.48) NT5EGJB2PTPN1CDC25BTACR2
SCHEMBL18744568 0.91 PTPN1 (0.57) NT5EPTPN1CDC25BTACR2PTPN2
SCHEMBL7079633 0.91 PTPN1 (0.57) NT5EPTPN1CDC25BTACR2PTPN2
SCHEMBL8219749 0.91 PTPN1 (0.57) NT5EPTPN1CDC25BTACR2PTPN2
SCHEMBL7597560 0.91 GJB2 (0.52) NT5EGJB2PTPN1CDC25BTACR2
SCHEMBL5198380 0.90 TACR2 (0.51) NT5EGJB2PTPN1CDC25BTACR2
SCHEMBL5198375 0.90 TACR2 (0.51) NT5EGJB2PTPN1CDC25BTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045706-A1 Method for preparing functionalised beta-(1,3)-glucan derivatives LABORATOIRES GOEMAR (FR) 2003-03-06 US disclosed