SCHEMBL8227200

SCHEMBL8227200

COc1cccc(C(c2ccccc2)(c2ccccc2)[C@@]2(n3cc(I)c(=O)[nH]c3=O)O[C@H](CO)[C@@H](O)[C@H]2O)c1OC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.35
TK1 P04183 2/20 0.33

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
SCHEMBL8227198 0.92 PYGM (0.37) PYGMTK1
SCHEMBL8197887 0.85 PYGM (0.38) PYGMTK1
SCHEMBL6756343 0.83 RNASE1 (0.36) TK1
SCHEMBL3612838 0.80 TK1 (0.38) PYGMTK1
SCHEMBL6753651 0.78 RNASE1 (0.35) TK1
SCHEMBL8920654 0.76 RNASE1 (0.36) TK1
SCHEMBL6301637 0.76 RNASE1 (0.37) TK1
SCHEMBL7209223 0.76 SLC28A1 (0.32)
SCHEMBL6474433 0.73 TOP2A (0.33) TK1
SCHEMBL3612842 0.73 PYGM (0.38) PYGMTK1

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-1042345-A1 COMPOUNDS FOR MASS SPECTROMETRY COMPRISING NUCLEIC ACID BASES AND ARYL ETHER MASS MARKERS Brax Group Limited (GB) 2000-10-11 EP disclosed
WO-1999032501-A1 COMPOUNDS FOR MASS SPECTROMETRY COMPRISING NUCLEIC ACID BASES AND ARYL ETHER MASS MARKERS BRAX GROUP LIMITED (GB) 1999-07-01 WO disclosed