SCHEMBL8932014

SCHEMBL8932014

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@](COCCCCNC(=O)C(F)(F)F)(n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 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
SCHEMBL8932016 0.91 TK2 (0.32) TK2
SCHEMBL8932101 0.85 HCRTR1 (0.32)
SCHEMBL8517818 0.82 DUT (0.31)
SCHEMBL8932073 0.80 TK1 (0.34) TK2
SCHEMBL8932104 0.77 MGAT2 (0.32)
SCHEMBL7603167 0.75 TK1 (0.37) TK2
SCHEMBL7599691 0.74 TK1 (0.36) TK2
SCHEMBL7599465 0.74 TK1 (0.37) TK2
SCHEMBL9498388 0.73
SCHEMBL7602643 0.72 TYMS (0.37)

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