SCHEMBL19976490

SCHEMBL19976490

NCCC(=O)NC(CCC(=O)NCCOCCO)(CCC(=O)NCCOCCO)CCC(=O)NCCOCCO

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
CA14 Q9ULX7 4/20 0.33
SLC9A3 P48764 7/20 0.32
LMNA P02545 2/20 0.31
GHSR Q92847 1/20 0.31
TLR2 O60603 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL18155871 0.85 CA2 (0.42) CA2CA12CA1CA4CA9
SCHEMBL4270081 0.76 TSHR (0.46) CA2CA12CA1CA4CA9
SCHEMBL19455426 0.75 GAA (0.45) CA2CA12CA1CA4CA9
SCHEMBL25370361 0.75 CA2 (0.36) CA2CA12CA1CA4CA9
SCHEMBL16156327 0.75 TSHR (0.35) CA2CA12CA1CA4CA9
SCHEMBL16983217 0.74 TSHR (0.38) CA2CA12CA1CA4CA9
SCHEMBL21415394 0.74 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL24976899 0.74 CA2 (0.47) CA2CA12CA1CA4CA9
SCHEMBL19432362 0.74 MEN1 (0.40) CA2CA12CA1CA4CA9
SCHEMBL16329783 0.74 CA2 (0.34) CA2CA12CA1CA4CA9

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
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed