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Sugi Predict / Compounds / SCHEMBL8931970

SCHEMBL8931970

SCHEMBL8931970

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.33
▸ TK2 O00142 4/20 0.32

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
SCHEMBL8931953 0.87 TK1 (0.34) TK1TK2
SCHEMBL8932048 0.87 TK1 (0.34) TK1TK2
SCHEMBL8931973 0.86 TK1 (0.32) TK1
SCHEMBL8931980 0.86 TK1 (0.33) TK1TK2
SCHEMBL6830788 0.86 TK1 (0.32) TK1
SCHEMBL8931895 0.86 TK1 (0.33) TK1TK2
SCHEMBL8931928 0.85 TK1 (0.33) TK1
SCHEMBL8932098 0.85 TK1 (0.33) TK1
SCHEMBL8932080 0.84 TK1 (0.31) TK1
SCHEMBL8932009 0.84 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