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SCHEMBL8317395

SCHEMBL8317395

CC(=O)O[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.62
▸ GJB2 P29033 1/20 0.41
▸ TACR2 P21452 3/20 0.40
▸ PTPN1 P18031 7/20 0.39
▸ CDC25B P30305 5/20 0.39
▸ PTPN2 P17706 3/20 0.39
▸ PTPN11 Q06124 3/20 0.39
▸ SELP P16109 1/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL7948003 1.00 NT5E (0.62) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL7948006 0.92 NT5E (0.66) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7955867 0.88 NT5E (0.61) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL7955866 0.88 NT5E (0.61) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL7955544 0.87 NT5E (0.47) NT5ELMNA
SCHEMBL22677759 0.86 NT5E (0.48) NT5EGJB2TACR2PTPN1CDC25B
SCHEMBL7955496 0.85 NT5E (0.60) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7955495 0.85 NT5E (0.60) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7948307 0.84 NT5E (0.64) NT5EGJB2PTPN1CDC25BPTPN2
SCHEMBL7948306 0.84 NT5E (0.64) NT5EGJB2PTPN1CDC25BPTPN2

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
EP-0819135-B1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1999-11-17 — — EP disclosed