SCHEMBL7957682

SCHEMBL7957682

O=[N+]([O-])c1ccc(O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.54
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
FGF1 P05230 2/20 0.34
FGF2 P09038 2/20 0.34
VEGFA P15692 2/20 0.34
HPSE Q9Y251 2/20 0.34
PTPN1 P18031 3/20 0.34
PTPN2 P17706 1/20 0.34
PTPN11 Q06124 1/20 0.34
CDC25B P30305 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL7957980 0.94 NT5E (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957983 0.94 NT5E (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957675 0.93 NT5E (0.50) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957672 0.93 NT5E (0.50) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957678 0.91 NT5E (0.52) NT5ESSTR5HTTNPC1RAB9A
SCHEMBL8317663 0.91 NT5E (0.52) NT5ESSTR5HTTNPC1RAB9A
SCHEMBL7962358 0.90 NT5E (0.49) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955443 0.87 NT5E (0.50) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955444 0.87 NT5E (0.50) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955551 0.86 NT5E (0.45) NT5ESSTR1SSTR2SSTR4SSTR3

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