SCHEMBL8928824

SCHEMBL8928824

O=C(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.98

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.98
PTPN1 P18031 10/20 0.48
CDC25B P30305 8/20 0.48
PTPN2 P17706 5/20 0.47
PTPN11 Q06124 5/20 0.47
PTPN6 P29350 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
BCHE P06276 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TACR2 P21452 1/20 0.42

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
SCHEMBL8928920 1.00 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL9164604 1.00 NT5E (0.98) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL749253 0.99 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6313490 0.99 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184231 0.99 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6313488 0.99 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8184232 0.99 NT5E (1.00) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418140 0.97 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL11418144 0.97 NT5E (0.93) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL8998271 0.92 NT5E (0.84) NT5EPTPN1CDC25BPTPN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622936-A COMPLEX OF SUGAR WITH A PHOSPHORUS AMIDE DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 1997-04-22 US disclosed
EP-0369182-B1 Antitumour saccharide conjugates DEUTSCHES KREBSFORSCH (DE) 1995-03-29 EP disclosed
EP-0369182-A1 Antitumour saccharide conjugates Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 1990-05-23 EP disclosed
WO-1990004597-A1 TUMOR-INHIBITING SACCHARIDE CONJUGATES Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 1990-05-03 WO disclosed