Sugi Predict

Sugi Predict / Compounds / SCHEMBL8932074

SCHEMBL8932074

SCHEMBL8932074

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 12/20 0.35
▸ TYMP P19971 1/20 0.35
▸ TK1 P04183 7/20 0.34

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
SCHEMBL8932076 0.89 TYMP (0.39) TK2TYMPTK1
SCHEMBL8931958 0.89 TYMP (0.38) TK2TYMPTK1
SCHEMBL8931972 0.87 TYMP (0.37) TK2TYMPTK1
SCHEMBL8932051 0.87 TYMP (0.37) TK2TYMPTK1
SCHEMBL8931920 0.87 TYMP (0.37) TK2TYMPTK1
SCHEMBL8931986 0.87 TYMP (0.37) TK2TYMPTK1
SCHEMBL8932120 0.87 TYMP (0.36) TK2TYMPTK1
SCHEMBL8931949 0.86 TYMP (0.36) TK2TYMPTK1
SCHEMBL8932103 0.86 TYMP (0.36) TK2TYMPTK1
SCHEMBL8932013 0.85 TYMP (0.36) TK2TYMPTK1

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