SCHEMBL7948006

SCHEMBL7948006

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.66
PTPN1 P18031 9/20 0.41
CDC25B P30305 5/20 0.41
SELP P16109 1/20 0.41
PTPN2 P17706 4/20 0.41
PTPN11 Q06124 3/20 0.41
PTPN6 P29350 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL7948003 0.92 NT5E (0.62) NT5EPTPN1CDC25BSELPPTPN2
SCHEMBL8317395 0.92 NT5E (0.62) NT5EPTPN1CDC25BSELPPTPN2
SCHEMBL7955496 0.90 NT5E (0.60) NT5EPTPN1CDC25BSELPPTPN2
SCHEMBL7955495 0.90 NT5E (0.60) NT5EPTPN1CDC25BSELPPTPN2
SCHEMBL7948307 0.87 NT5E (0.64) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7948306 0.87 NT5E (0.64) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL16348277 0.85 NT5E (0.55) NT5EPTPN1CDC25BSELPPTPN2
SCHEMBL22073057 0.85 NT5E (0.49) NT5EPTPN1CDC25BPTPN2LMNA
SCHEMBL22073764 0.83 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7955866 0.83 NT5E (0.61) NT5EPTPN1CDC25BPTPN2PTPN11

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 1 patent. 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