SCHEMBL7703578

SCHEMBL7703578

COc1ccc(C(OC[C@@H]2O[C@H](n3cc(F)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TYMP P19971 2/20 0.52
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL3341208 1.00 TYMS (0.56) TYMSLMNASMN1; SMN2TYMPHSP90AA1
SCHEMBL7703575 1.00 TYMS (0.56) TYMSLMNASMN1; SMN2TYMPHSP90AA1
SCHEMBL3341212 1.00 TYMS (0.56) TYMSLMNASMN1; SMN2TYMPHSP90AA1
SCHEMBL8326876 0.93 LMNA (0.64) TYMSLMNASMN1; SMN2TYMPHSP90AA1
SCHEMBL8326880 0.93 LMNA (0.64) TYMSLMNASMN1; SMN2TYMPHSP90AA1
SCHEMBL23517951 0.91 TYMS (0.56) TYMSTYMP
SCHEMBL22983972 0.91 TYMS (0.56) TYMSTYMP
SCHEMBL22983968 0.91 TYMS (0.56) TYMSTYMP
SCHEMBL2460807 0.91 TYMS (0.56) TYMSTYMP
SCHEMBL14064188 0.91 TYMS (0.56) TYMSTYMP

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
US-6342485-B1 ANTITUMOR AGENTS WITH NUCLEIC ACIDS GMEINER, WILLIAM H. 2002-01-29 US disclosed