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Sugi Predict / Compounds / SCHEMBL8931958

SCHEMBL8931958

SCHEMBL8931958

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.38
▸ TK2 O00142 13/20 0.37
▸ TK1 P04183 7/20 0.37

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
SCHEMBL8931972 0.93 TYMP (0.37) TYMPTK2TK1
SCHEMBL8932051 0.93 TYMP (0.37) TYMPTK2TK1
SCHEMBL8931920 0.93 TYMP (0.37) TYMPTK2TK1
SCHEMBL8931986 0.93 TYMP (0.37) TYMPTK2TK1
SCHEMBL8931949 0.91 TYMP (0.36) TYMPTK2TK1
SCHEMBL8932103 0.91 TYMP (0.36) TYMPTK2TK1
SCHEMBL8932120 0.91 TYMP (0.36) TYMPTK2TK1
SCHEMBL8932013 0.91 TYMP (0.36) TYMPTK2TK1
SCHEMBL8931957 0.89 TYMP (0.35) TYMPTK2TK1
SCHEMBL8932074 0.89 TK2 (0.35) TYMPTK2TK1

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