SCHEMBL9569495

SCHEMBL9569495

Cc1cn(CO[C@H](/C=C/P(=O)(O)O)CO)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.54
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
TK1 P04183 3/20 0.39

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
SCHEMBL9569505 1.00 TYMP (0.54) TYMPMAPK1HPGDTK1
SCHEMBL9569484 1.00 TYMP (0.54) TYMPMAPK1HPGDTK1
SCHEMBL9569711 0.86 TYMP (0.47) TYMPMAPK1HPGDTK1
SCHEMBL9569715 0.86 TYMP (0.47) TYMPMAPK1HPGDTK1
SCHEMBL9569708 0.86 TYMP (0.47) TYMPMAPK1HPGDTK1
SCHEMBL12173907 0.84 TYMP (0.48) TYMPMAPK1HPGDTK1
SCHEMBL10475717 0.81 TYMP (0.50) TYMPMAPK1HPGDTK1
SCHEMBL12987596 0.81 TYMP (0.50) TYMPMAPK1HPGDTK1
SCHEMBL9569567 0.81 TYMP (0.59) TYMPMAPK1HPGDTK1
SCHEMBL9569550 0.81 TYMP (0.59) TYMPMAPK1HPGDTK1

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
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed