SCHEMBL7948100

SCHEMBL7948100

CO[C@H]1[C@@H](OCc2ccccc2)[C@@H](COc2ccc([N+](=O)[O-])cc2)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.55
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
MAPT P10636 2/20 0.40
BCHE P06276 1/20 0.39
GJB2 P29033 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7955938 0.93 NT5E (0.56) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955939 0.93 NT5E (0.56) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955508 0.92 NT5E (0.55) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7955504 0.92 NT5E (0.55) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7948307 0.91 NT5E (0.64) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7948306 0.91 NT5E (0.64) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7959448 0.90 NT5E (0.55) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7959453 0.90 NT5E (0.55) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL8317281 0.89 NT5E (0.54) NT5ESSTR1SSTR2SSTR4SSTR3
SCHEMBL7948095 0.89 NT5E (0.54) 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