SCHEMBL8931933

SCHEMBL8931933

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.33
KIF11 P52732 1/20 0.31
TK2 O00142 4/20 0.30

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
SCHEMBL8931971 0.94 TK1 (0.33) TK1KIF11
SCHEMBL8931963 0.93 TK1 (0.34) TK1TK2
SCHEMBL8932053 0.93 TK1 (0.33) TK1TK2
SCHEMBL8931991 0.93 TK1 (0.33) TK1TK2
SCHEMBL8932110 0.91 TK1 (0.33) TK1
SCHEMBL8932015 0.91 TK1 (0.32) TK1
SCHEMBL8932124 0.90 TK1 (0.32) TK1TK2
SCHEMBL8931960 0.89 TK1 (0.31) TK1
SCHEMBL8932078 0.88 TK1 (0.32) TK1
SCHEMBL6830790 0.85 TK1 (0.32) TK1

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-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed