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Sugi Predict / Compounds / SCHEMBL8932060

SCHEMBL8932060

SCHEMBL8932060

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5M Q9NPB1 1/20 0.35
▸ RNASE1 P07998 1/20 0.35
▸ TK1 P04183 5/20 0.34
▸ TK2 O00142 3/20 0.34
▸ TOP2A P11388 2/20 0.33

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
SCHEMBL8931926 0.93 TK1 (0.36) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8931967 0.91 RNASE1 (0.37) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8931941 0.90 TK1 (0.36) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8931937 0.90 TK1 (0.36) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8932082 0.89 TK1 (0.35) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8932056 0.89 TK1 (0.35) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8931992 0.89 TK1 (0.35) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8931956 0.88 TK1 (0.34) NT5MRNASE1TK1TK2TOP2A
SCHEMBL8931903 0.86 RNASE1 (0.34) NT5MRNASE1TK1TK2
SCHEMBL8931985 0.86 TK1 (0.33) NT5MRNASE1TK1TK2TOP2A

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