Sugi Predict

Sugi Predict / Compounds / SCHEMBL8034055

SCHEMBL8034055

SCHEMBL8034055

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O[PH](O)(CC=CC[SiH2]C(c2ccccc2)c2ccccc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.40
▸ TYMP P19971 1/20 0.35
▸ TK1 P04183 3/20 0.34
▸ TYMS P04818 1/20 0.34
▸ TK2 O00142 1/20 0.34

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
SCHEMBL6232615 0.90 RNASE1 (0.42) RNASE1TYMPTK1TYMSTK2
SCHEMBL6324546 0.86 RNASE1 (0.45) RNASE1TYMPTK1TYMSTK2
SCHEMBL8028040 0.85 TYMP (0.35) TYMP
SCHEMBL3290516 0.84 RNASE1 (0.43) RNASE1TYMPTK1TYMSTK2
SCHEMBL8027668 0.83 RNASE1 (0.41) RNASE1TK1TYMSTK2
SCHEMBL8027766 0.81 RNASE1 (0.41) RNASE1TYMPTK1TYMSTK2
SCHEMBL8033756 0.81 TYMP (0.41) TYMP
SCHEMBL6735623 0.81 RNASE1 (0.41) RNASE1TYMPTK1TYMSTK2
SCHEMBL24217748 0.80 RNASE1 (0.45) RNASE1TYMPTK1TYMSTK2
SCHEMBL20706321 0.80 RNASE1 (0.45) RNASE1TYMPTK1TYMSTK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051699-A Process for the synthesis of oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2000-04-18 — — US disclosed
US-5859232-A Process for the synthesis of oligomeric phosphite, phosphodiester, phosphorothioate and phosphorodithioate compounds ISIS PHARMACEUTICALS, INC. (US) 1999-01-12 — — US disclosed
US-5705621-A Oligomeric phosphite, phosphodiester, Phosphorothioate and phosphorodithioate compounds and intermediates for preparing same ISIS PHARMACEUTICALS, INC. (US) 1998-01-06 — — US disclosed