SCHEMBL8931976

SCHEMBL8931976

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.38
NT5M Q9NPB1 1/20 0.38
RNASE1 P07998 1/20 0.38
TOP2A P11388 1/20 0.35

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
SCHEMBL4580937 0.89 NT5M (0.41) TK1NT5MRNASE1
SCHEMBL7900375 0.86 TK1 (0.40) TK1NT5MRNASE1
SCHEMBL8931975 0.86 TK1 (0.37) TK1NT5MRNASE1TOP2A
SCHEMBL29703065 0.84 TK1 (0.36) TK1NT5MRNASE1
SCHEMBL9014399 0.81 NT5M (0.43) TK1NT5MRNASE1
SCHEMBL2113756 0.81 TK1 (0.42) TK1NT5MRNASE1
SCHEMBL7535867 0.79 TK1 (0.52) TK1
SCHEMBL9564565 0.79 TK1 (0.52) TK1
SCHEMBL60737 0.79 TK1 (0.52) TK1
SCHEMBL8931988 0.78 RNASE1 (0.42) TK1NT5MRNASE1

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