SCHEMBL16005683

SCHEMBL16005683

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
RNPEP Q9H4A4 1/20 0.35
NFKB1 P19838 1/20 0.33
CPB2 Q96IY4 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
FDPS P14324 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
SCHEMBL16005533 0.98 CA12 (0.36) GSRRNPEPNFKB1CPB2CA12
SCHEMBL16005445 0.98 CA12 (0.36) GSRRNPEPNFKB1CPB2CA12
SCHEMBL16005644 0.98 CA12 (0.36) GSRRNPEPNFKB1CPB2CA12
SCHEMBL16005288 0.93 CPB2 (0.31) CPB2
SCHEMBL16005261 0.86 GSR (0.34) GSRRNPEPNFKB1CPB2
SCHEMBL16005275 0.85 CA12 (0.33) GSRRNPEPCPB2CA12CA1
SCHEMBL16005377 0.85 CA12 (0.33) GSRRNPEPCPB2CA12CA1
SCHEMBL16005652 0.80 GSR (0.39) GSRRNPEPNFKB1CPB2CA12
SCHEMBL16005159 0.78 FDPS (0.40) GSRRNPEPNFKB1CPB2CA12
SCHEMBL16005424 0.78 FDPS (0.40) GSRRNPEPNFKB1CPB2CA12

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