SCHEMBL16005261

SCHEMBL16005261

NCCCCC(O)C(O)(O)C(O)(O)C(O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
CPB2 Q96IY4 1/20 0.31
NFKB1 P19838 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
SCHEMBL16005377 0.98 CA12 (0.33) GSRRNPEPCPB2
SCHEMBL16005275 0.98 CA12 (0.33) GSRRNPEPCPB2
SCHEMBL16005683 0.86 GSR (0.37) GSRRNPEPCPB2NFKB1
SCHEMBL16005533 0.84 CA12 (0.36) GSRRNPEPCPB2NFKB1
SCHEMBL16005445 0.84 CA12 (0.36) GSRRNPEPCPB2NFKB1
SCHEMBL16005644 0.84 CA12 (0.36) GSRRNPEPCPB2NFKB1
SCHEMBL16005288 0.79 CPB2 (0.31) CPB2
SCHEMBL16005652 0.77 GSR (0.39) GSRRNPEPCPB2NFKB1
SCHEMBL22345907 0.76 FDPS (0.34)
SCHEMBL16005159 0.75 FDPS (0.40) GSRRNPEPCPB2NFKB1

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
EP-2774915-A1 New derivatives of resveratrol Mattarei, Andrea (IT) 2014-09-10 EP claimed
EP-2774915-A1 New derivatives of resveratrol Mattarei, Andrea (IT) 2014-09-10 EP disclosed