SCHEMBL7955867

SCHEMBL7955867

O=[N+]([O-])c1ccc(O[C@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](O)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.61
GJB2 P29033 1/20 0.42
SLC6A2 P23975 1/20 0.42
PTPN1 P18031 6/20 0.40
CDC25B P30305 5/20 0.40
PTPN2 P17706 3/20 0.40
PTPN11 Q06124 3/20 0.40
PTPN6 P29350 2/20 0.40
SSTR4 P31391 1/20 0.38
HPSE Q9Y251 1/20 0.38
TACR2 P21452 1/20 0.38

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
SCHEMBL7955866 1.00 NT5E (0.61) NT5EGJB2SLC6A2PTPN1CDC25B
SCHEMBL8318912 0.94 NT5E (0.60) NT5EGJB2SLC6A2PTPN1CDC25B
SCHEMBL7955265 0.91 NT5E (0.51) NT5ESSTR4HPSE
SCHEMBL7955271 0.91 NT5E (0.51) NT5ESSTR4HPSE
SCHEMBL7962174 0.90 NT5E (0.51) NT5ESLC6A2
SCHEMBL7962175 0.90 NT5E (0.51) NT5ESLC6A2
SCHEMBL7948003 0.88 NT5E (0.62) NT5EGJB2PTPN1CDC25BPTPN2
SCHEMBL8317395 0.88 NT5E (0.62) NT5EGJB2PTPN1CDC25BPTPN2
SCHEMBL7948306 0.86 NT5E (0.64) NT5EGJB2PTPN1CDC25BPTPN2
SCHEMBL7948307 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271342-B1 SERUM STABILITY; FOR TUMOR THERAPY BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
EP-0819135-B1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1999-11-17 EP disclosed