SCHEMBL7957974

SCHEMBL7957974

CO[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NT5E P21589 1/20 0.35
KDM4E B2RXH2 1/20 0.31
TYMP P19971 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7955551 0.90 NT5E (0.45) ALDH1A1NT5EHTTMAPT
SCHEMBL7948121 0.88 ALDH1A1 (0.43) ALDH1A1NT5EKDM4ETYMP
SCHEMBL7955494 0.87 NT5E (0.41) ALDH1A1NT5EKDM4ETYMPHTT
SCHEMBL7955497 0.87 NT5E (0.41) ALDH1A1NT5EKDM4ETYMPHTT
SCHEMBL7957722 0.85 ALDH1A1 (0.47) ALDH1A1NT5EKDM4EMAPT
SCHEMBL7957807 0.82 TYMP (0.38) ALDH1A1NT5ETYMP
SCHEMBL7957980 0.82 NT5E (0.52) NT5EHTTMAPT
SCHEMBL7957675 0.82 NT5E (0.50) NT5EHTTMAPT
SCHEMBL7957672 0.82 NT5E (0.50) NT5EHTTMAPT
SCHEMBL7957983 0.82 NT5E (0.52) NT5EHTTMAPT

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