SCHEMBL7957730

SCHEMBL7957730

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.47
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
TACR1 P25103 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL7957304 0.91 NT5E (0.49) NT5EHTTLMNANPC1RAB9A
SCHEMBL7955492 0.91 NT5E (0.49) NT5EHTTLMNANPC1RAB9A
SCHEMBL7955504 0.88 NT5E (0.55) NT5EHTTMAPTNPC1RAB9A
SCHEMBL7955508 0.88 NT5E (0.55) NT5EHTTMAPTNPC1RAB9A
SCHEMBL8317281 0.87 NT5E (0.54) NT5EHTTNPC1RAB9ABCHE
SCHEMBL7955938 0.87 NT5E (0.56) NT5EHTTMAPTBCHESSTR1
SCHEMBL7948306 0.87 NT5E (0.64) NT5EBCHESSTR1SSTR2SSTR4
SCHEMBL7948095 0.87 NT5E (0.54) NT5EHTTNPC1RAB9ABCHE
SCHEMBL7955939 0.87 NT5E (0.56) NT5EHTTMAPTBCHESSTR1
SCHEMBL7948307 0.87 NT5E (0.64) NT5EBCHESSTR1SSTR2SSTR4

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