SCHEMBL9569663

SCHEMBL9569663

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.46
TK1 P04183 3/20 0.35
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL9569655 1.00 TYMP (0.46) TYMPTK1MAPK1HPGD
SCHEMBL9569669 1.00 TYMP (0.46) TYMPTK1MAPK1HPGD
SCHEMBL9569570 0.87 TYMP (0.42) TYMPTK1MAPK1HPGD
SCHEMBL9569581 0.87 TYMP (0.42) TYMPTK1MAPK1HPGD
SCHEMBL9569559 0.87 TYMP (0.42) TYMPTK1MAPK1HPGD
SCHEMBL9569455 0.86 TYMP (0.40) TYMPTK1MAPK1HPGD
SCHEMBL9569454 0.86 TYMP (0.40) TYMPTK1MAPK1HPGD
SCHEMBL9569462 0.86 TYMP (0.40) TYMPTK1MAPK1HPGD
SCHEMBL9569550 0.83 TYMP (0.59) TYMPTK1MAPK1HPGD
SCHEMBL9569567 0.83 TYMP (0.59) TYMPTK1MAPK1HPGD

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