SCHEMBL8932073

SCHEMBL8932073

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.34
TK2 O00142 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8932016 0.89 TK2 (0.32) TK1TK2
SCHEMBL8932104 0.88 MGAT2 (0.32) TK1SMN1; SMN2
SCHEMBL8932076 0.84 TYMP (0.39) TK1TK2
SCHEMBL8932069 0.83 TK1 (0.32) TK1TK2SMN1; SMN2
SCHEMBL8932101 0.80 HCRTR1 (0.32)
SCHEMBL8932014 0.80 TK2 (0.30) TK2
SCHEMBL6830773 0.80 TK1 (0.35) TK1TK2
SCHEMBL8932078 0.77 TK1 (0.32) TK1
SCHEMBL8932074 0.77 TK2 (0.35) TK1TK2
SCHEMBL8932052 0.76 TK1 (0.38) 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