SCHEMBL6574752

SCHEMBL6574752

N=C(OC1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.57
PTPN1 P18031 10/20 0.48
CDC25B P30305 8/20 0.48
SSTR1 P30872 1/20 0.48
SSTR2 P30874 1/20 0.48
SSTR4 P31391 1/20 0.48
SSTR3 P32745 1/20 0.48
SSTR5 P35346 1/20 0.48
PTPN2 P17706 5/20 0.47
PTPN11 Q06124 5/20 0.47
PTPN6 P29350 4/20 0.47
HTR1A P08908 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GJB2 P29033 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
SCHEMBL26447373 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2804791 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL10259814 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL6895176 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2989107 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL14616676 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL19204220 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL13129824 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL15975379 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2287945 1.00 NT5E (0.57) NT5EPTPN1CDC25BSSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409498-A1 INOSITOL PHOSPHOGLYCAN DERIVATIVES AND THEIR MEDICAL USES Rodaris Pharmaceuticals Limited (GB) 2004-04-21 EP disclosed
US-6716826-B2 SUBSTITUTED CYCLITOLS SELECTED FROM MYO-INOSITOL, CHIRO-INOSITOL OR PINITOL; INOSITOL PHOSPHOGLYCAN ANTAGONIST RODARIS PHARMACEUTICALS LIMITED (GB) 2004-04-06 US disclosed
US-20010041677-A1 Compounds and their uses RODARIS PHARMACEUTICALS LIMITED (GB) 2001-11-15 US disclosed
WO-2001085745-A1 INOSITOL PHOSPHOGLYCAN DERIVATIVES AND THEIR MEDICAL USES RODARIS PHARMACEUTICALS LIMITED (GB) 2001-11-15 WO disclosed
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
US-5035998-A Hydrolase substrates BOEHRINGER MANNHEIM GMBH (DE) 1991-07-30 US 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
US-4900822-A New hydrolase substrates BOEHRINGER MANNHEIM GMBH (DE) 1990-02-13 US disclosed