SCHEMBL7955494

SCHEMBL7955494

CO[C@H]1[C@@H](OC)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
TYMP P19971 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7955497 1.00 NT5E (0.41) NT5EHTTMAPTTYMPDRD2
SCHEMBL7957675 0.93 NT5E (0.50) NT5EHTTMAPT
SCHEMBL7957672 0.93 NT5E (0.50) NT5EHTTMAPT
SCHEMBL7957980 0.91 NT5E (0.52) NT5EHTTMAPT
SCHEMBL7957983 0.91 NT5E (0.52) NT5EHTTMAPT
SCHEMBL7957807 0.87 TYMP (0.38) NT5ETYMPALDH1A1
SCHEMBL7957974 0.87 ALDH1A1 (0.41) NT5EHTTMAPTTYMPALDH1A1
SCHEMBL8131545 0.84 NT5E (0.43) NT5EALDH1A1LMNAMEN1KMT2A
SCHEMBL7957682 0.84 NT5E (0.54) NT5EHTTMAPT
SCHEMBL8131550 0.84 NT5E (0.43) NT5EALDH1A1LMNAMEN1KMT2A

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