SCHEMBL17850547

SCHEMBL17850547

C=CCNC[C@@H](O)C(O)[C@H](I)CO

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 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
SCHEMBL8781841 0.82 KDM4E (0.48) KDM4E
SCHEMBL11454828 0.82 KDM4E (0.43) KDM4E
SCHEMBL4278680 0.82 KDM4E (0.48) KDM4E
SCHEMBL19114066 0.78 KDM4E (0.35) KDM4E
SCHEMBL2535752 0.77 ACHE (0.34) KDM4E
SCHEMBL11493514 0.71 CYP2C9 (0.41)
SCHEMBL10620641 0.71
SCHEMBL7512600 0.71
SCHEMBL10818774 0.68 ACHE (0.41) KDM4E
SCHEMBL1007134 0.68

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
EP-3034517-A1 Amphiphilic bioconjugates obtained from xylan derivatives Université de Bordeaux (FR) 2016-06-22 EP disclosed