SCHEMBL7079633

SCHEMBL7079633

CC(=O)O[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.57
CDC25B P30305 8/20 0.57
NT5E P21589 1/20 0.56
PTPN2 P17706 5/20 0.56
PTPN11 Q06124 5/20 0.56
PTPN6 P29350 4/20 0.56
SSTR1 P30872 1/20 0.50
SSTR2 P30874 1/20 0.50
SSTR4 P31391 1/20 0.50
SSTR3 P32745 1/20 0.50
SSTR5 P35346 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TACR2 P21452 2/20 0.48

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
SCHEMBL18744568 1.00 PTPN1 (0.57) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL8219749 1.00 PTPN1 (0.57) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL5470888 0.99 NT5E (0.57) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL14414816 0.99 NT5E (0.57) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL5476248 0.99 NT5E (0.57) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL8222985 0.95 NT5E (0.59) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL7174275 0.95 NT5E (0.59) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL8227939 0.95 NT5E (0.59) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL8227941 0.95 NT5E (0.59) PTPN1CDC25BNT5EPTPN2PTPN11
SCHEMBL7174279 0.95 NT5E (0.59) PTPN1CDC25BNT5EPTPN2PTPN11

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