SCHEMBL16005248

SCHEMBL16005248

NCCCCCCC(O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.52
DNM1 Q05193 6/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 1/20 0.50
NFKB1 P19838 1/20 0.44
PDE3A Q14432 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL6368202 1.00 FDPS (0.52) FDPSDNM1CA12CA1CA2
SCHEMBL4542992 0.97
SCHEMBL4964162 0.87
SCHEMBL28313049 0.81 FDPS (0.52) FDPSDNM1CA12CA1CA2
SCHEMBL27473423 0.79 FDPS (0.50) FDPSDNM1CA12CA1CA2
SCHEMBL27622639 0.79 FDPS (0.50) FDPSDNM1CA12CA1CA2
SCHEMBL16005577 0.77 FDPS (0.48) FDPSDNM1CA12CA1CA2
SCHEMBL16005513 0.77 FDPS (0.48) FDPSDNM1CA12CA1CA2
SCHEMBL4238982 0.77 FDPS (0.48) FDPSDNM1CA12CA1CA2
SCHEMBL16005520 0.77 FDPS (0.48) FDPSDNM1CA12CA1CA2

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