SCHEMBL7955265

SCHEMBL7955265

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.51
SSTR5 P35346 9/20 0.45
SSTR3 P32745 5/20 0.41
SSTR2 P30874 3/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
MCHR1 Q99705 3/20 0.40
HPSE Q9Y251 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
SCHEMBL7955271 1.00 NT5E (0.51) NT5ESSTR5SSTR3SSTR2SSTR1
SCHEMBL7955867 0.91 NT5E (0.61) NT5ESSTR4HPSE
SCHEMBL7955866 0.91 NT5E (0.61) NT5ESSTR4HPSE
SCHEMBL7962175 0.89 NT5E (0.51) NT5E
SCHEMBL7962174 0.89 NT5E (0.51) NT5E
SCHEMBL7955504 0.88 NT5E (0.55) NT5ESSTR5SSTR3SSTR2SSTR1
SCHEMBL7962382 0.88 NT5E (0.52) NT5ESSTR5SSTR3SSTR2SSTR1
SCHEMBL7962386 0.88 NT5E (0.52) NT5ESSTR5SSTR3SSTR2SSTR1
SCHEMBL7959453 0.88 NT5E (0.55) NT5ESSTR5SSTR3SSTR2SSTR1
SCHEMBL7955508 0.88 NT5E (0.55) NT5ESSTR5SSTR3SSTR2SSTR1

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 3 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
CN-1185786-A Sugar-modified cytostatics BAYER AG (DE) 1998-06-24 CN disclosed