SCHEMBL7955939

SCHEMBL7955939

COC[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OCc2ccccc2)[C@@H](OC)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.56
SSTR5 P35346 2/20 0.44
SSTR1 P30872 1/20 0.44
SSTR2 P30874 1/20 0.44
SSTR4 P31391 1/20 0.44
SSTR3 P32745 1/20 0.44
BCHE P06276 1/20 0.40
GJB2 P29033 1/20 0.39
HTT P42858 1/20 0.37
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CDC25B P30305 1/20 0.35

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
SCHEMBL7955938 1.00 NT5E (0.56) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7955508 0.99 NT5E (0.55) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7955504 0.99 NT5E (0.55) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7959448 0.97 NT5E (0.55) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7959453 0.97 NT5E (0.55) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7962382 0.95 NT5E (0.52) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7962386 0.95 NT5E (0.52) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7948100 0.93 NT5E (0.55) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7948306 0.92 NT5E (0.64) NT5ESSTR5SSTR1SSTR2SSTR4
SCHEMBL7948307 0.92 NT5E (0.64) NT5ESSTR5SSTR1SSTR2SSTR4

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