SCHEMBL7948307

SCHEMBL7948307

CO[C@H]1[C@@H](OC)[C@@H](COCc2ccccc2)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.64
GJB2 P29033 1/20 0.47
SSTR1 P30872 1/20 0.46
SSTR2 P30874 1/20 0.46
SSTR4 P31391 1/20 0.46
SSTR3 P32745 1/20 0.46
SSTR5 P35346 1/20 0.46
PTPN1 P18031 10/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTPN2 P17706 5/20 0.41
CDC25B P30305 6/20 0.41
PTPN11 Q06124 3/20 0.40
PTPN6 P29350 2/20 0.40
BCHE P06276 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
SCHEMBL7948306 1.00 NT5E (0.64) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7959239 0.95 NT5E (0.59) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7955504 0.93 NT5E (0.55) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7955508 0.93 NT5E (0.55) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7955938 0.92 NT5E (0.56) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7955939 0.92 NT5E (0.56) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7948100 0.91 NT5E (0.55) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7959453 0.91 NT5E (0.55) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7959448 0.91 NT5E (0.55) NT5EGJB2SSTR1SSTR2SSTR4
SCHEMBL7962382 0.89 NT5E (0.52) NT5EGJB2SSTR1SSTR2SSTR4

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