SCHEMBL7957675

SCHEMBL7957675

CO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OC)[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.50
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
GJB2 P29033 1/20 0.37
BCHE P06276 1/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33
PTPN1 P18031 2/20 0.33
PTPN2 P17706 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
SCHEMBL7957672 1.00 NT5E (0.50) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957980 0.98 NT5E (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957983 0.98 NT5E (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7957682 0.93 NT5E (0.54) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955497 0.93 NT5E (0.41) NT5EHTTMAPT
SCHEMBL7955494 0.93 NT5E (0.41) NT5EHTTMAPT
SCHEMBL7962386 0.89 NT5E (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7962382 0.89 NT5E (0.52) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL8317663 0.87 NT5E (0.52) NT5ESSTR5HTTNPC1RAB9A
SCHEMBL7957678 0.87 NT5E (0.52) NT5ESSTR5HTTNPC1RAB9A

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