SCHEMBL10951219

SCHEMBL10951219

CCCCC(C(=O)OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(=O)OC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.54
▸ PTPN1 P18031 12/20 0.53
▸ CDC25B P30305 8/20 0.53
▸ PTPN2 P17706 7/20 0.49
▸ PTPN11 Q06124 5/20 0.49
▸ PTPN6 P29350 4/20 0.49
▸ SSTR1 P30872 1/20 0.48
▸ SSTR2 P30874 1/20 0.48
▸ SSTR4 P31391 1/20 0.48
▸ SSTR3 P32745 1/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ TACR2 P21452 2/20 0.47

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
SCHEMBL10945733 0.90 NT5E (0.57) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20019541 0.83 SSTR1 (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14519962 0.83 PTPN1 (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11581477 0.83 NT5E (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7933032 0.83 NT5E (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11584750 0.83 NT5E (0.55) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7573363 0.82 SSTR1 (0.51) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL28516242 0.82 NT5E (0.60) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20473799 0.82 NT5E (0.62) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8579200 0.82 NT5E (0.62) NT5EPTPN1CDC25BPTPN2PTPN11

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-4572907-A High caloric product for I.V. administration ABBOTT LABORATORIES (US) 1986-02-25 — — US disclosed
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