SCHEMBL9569711

SCHEMBL9569711

CCOP(=O)(/C=C/[C@H](CO)OCn1cc(C)c(=O)[nH]c1=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.47
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
TK1 P04183 3/20 0.37

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
SCHEMBL9569715 1.00 TYMP (0.47) TYMPMAPK1HPGDTK1
SCHEMBL9569708 1.00 TYMP (0.47) TYMPMAPK1HPGDTK1
SCHEMBL9569505 0.86 TYMP (0.54) TYMPMAPK1HPGDTK1
SCHEMBL9569495 0.86 TYMP (0.54) TYMPMAPK1HPGDTK1
SCHEMBL9569484 0.86 TYMP (0.54) TYMPMAPK1HPGDTK1
SCHEMBL9569480 0.82 TYMP (0.52) TYMPMAPK1HPGDTK1
SCHEMBL9569471 0.82 TYMP (0.52) TYMPMAPK1HPGDTK1
SCHEMBL9569465 0.82 TYMP (0.52) TYMPMAPK1HPGDTK1
SCHEMBL9569435 0.80 TYMP (0.45) TYMPMAPK1HPGDTK1
SCHEMBL9569432 0.80 TYMP (0.45) 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 disclosed