SCHEMBL7955495

SCHEMBL7955495

CC(=O)O[C@@H]1[C@H](OS(=O)(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]1COCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.60
SELP P16109 2/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTPN1 P18031 7/20 0.37
CDC25B P30305 5/20 0.37
PTPN2 P17706 3/20 0.37
PTPN11 Q06124 3/20 0.37
PTPN6 P29350 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
FGF2 P09038 1/20 0.36
MDK P21741 1/20 0.36

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
SCHEMBL7955496 1.00 NT5E (0.60) NT5ESELPCA1CA2CA9
SCHEMBL7962171 0.92 NT5E (0.60) NT5ECA1CA2CA9PTPN1
SCHEMBL7962172 0.92 NT5E (0.60) NT5ECA1CA2CA9PTPN1
SCHEMBL7948006 0.90 NT5E (0.66) NT5ESELPPTPN1CDC25BPTPN2
SCHEMBL8317395 0.85 NT5E (0.62) NT5ESELPPTPN1CDC25BPTPN2
SCHEMBL7948003 0.85 NT5E (0.62) NT5ESELPPTPN1CDC25BPTPN2
SCHEMBL7948306 0.81 NT5E (0.64) NT5ECA1CA2CA9PTPN1
SCHEMBL7948307 0.81 NT5E (0.64) NT5ECA1CA2CA9PTPN1
SCHEMBL30074377 0.80 NT5E (0.49) NT5ECYP2D6ALDH1A1MAPK1
SCHEMBL16348277 0.79 NT5E (0.55) NT5ESELPPTPN1CDC25BPTPN2

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