SCHEMBL7955443

SCHEMBL7955443

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.50
SLC6A2 P23975 1/20 0.39
TYMP P19971 3/20 0.35
SSTR5 P35346 2/20 0.35
HPSE Q9Y251 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34

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
SCHEMBL7955444 1.00 NT5E (0.50) NT5ESLC6A2TYMPSSTR5HPSE
SCHEMBL8317663 0.94 NT5E (0.52) NT5ESLC6A2TYMPSSTR5HPSE
SCHEMBL7957678 0.94 NT5E (0.52) NT5ESLC6A2TYMPSSTR5HPSE
SCHEMBL7958046 0.91 NT5E (0.44) NT5ETYMPHPSENPC1RAB9A
SCHEMBL8316593 0.90 NT5E (0.48) NT5ESLC6A2TYMPSSTR5HTT
SCHEMBL7962356 0.90 NT5E (0.48) NT5ESLC6A2TYMPSSTR5HTT
SCHEMBL7957807 0.88 TYMP (0.38) NT5ETYMPHPSE
SCHEMBL7948338 0.88 NT5E (0.39) NT5ETYMPHPSE
SCHEMBL7957682 0.87 NT5E (0.54) NT5ESSTR5HPSEHTTNPC1
SCHEMBL7962368 0.86 TYR (0.42) NT5ETYMPHPSE

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