SCHEMBL9569432

SCHEMBL9569432

CCOP(=O)(/C=C/C(CO)CCn1cc(C)c(=O)[nH]c1=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.45
TK1 P04183 4/20 0.41
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
TK2 O00142 1/20 0.35

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
SCHEMBL9569435 1.00 TYMP (0.45) TYMPTK1MAPK1HTTHPGD
SCHEMBL9569438 1.00 TYMP (0.45) TYMPTK1MAPK1HTTHPGD
SCHEMBL9569471 0.89 TYMP (0.52) TYMPTK1MAPK1HPGD
SCHEMBL9569465 0.89 TYMP (0.52) TYMPTK1MAPK1HPGD
SCHEMBL9569480 0.89 TYMP (0.52) TYMPTK1MAPK1HPGD
SCHEMBL9569547 0.87 TYMP (0.46) TYMPTK1MAPK1HTTHPGD
SCHEMBL9569554 0.87 TYMP (0.46) TYMPTK1MAPK1HTTHPGD
SCHEMBL9569563 0.87 TYMP (0.46) TYMPTK1MAPK1HTTHPGD
SCHEMBL9569763 0.86 TYMP (0.51) TYMPTK1MAPK1HTTHPGD
SCHEMBL9569762 0.86 TYMP (0.51) TYMPTK1MAPK1HTTHPGD

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