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Sugi Predict / Compounds / SCHEMBL8931967

SCHEMBL8931967

SCHEMBL8931967

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@]2(CO)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 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.37
▸ TK1 P04183 6/20 0.37
▸ TK2 O00142 4/20 0.37
▸ NT5M Q9NPB1 1/20 0.36
▸ TOP2A P11388 2/20 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
SCHEMBL8931937 0.95 TK1 (0.36) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8931941 0.93 TK1 (0.36) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8931926 0.93 TK1 (0.36) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8932056 0.92 TK1 (0.35) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8932082 0.92 TK1 (0.35) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8931992 0.92 TK1 (0.35) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8931956 0.91 TK1 (0.34) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8932060 0.91 NT5M (0.35) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8931985 0.90 TK1 (0.33) RNASE1TK1TK2NT5MTOP2A
SCHEMBL8931903 0.88 RNASE1 (0.34) RNASE1TK1TK2NT5M

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